HIT ID: HIT212001398
Cas No: 161798-03-4
分子式: C18H21NO4S
分子量: 347.43
常用名: Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
常用名: Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate
氢键受体数 (HBA): 4
氢键供体数 (HBD): 0
LogP: 4.0800376
IUPAC: ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
IUPAC: ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
SMILES: CCOC(=O)c1sc(nc1C)-c1ccc(OCC(C)C)c(C=O)c1
SMILES: CCOC(=O)c1sc(nc1C)-c1ccc(OCC(C)C)c(C=O)c1
InChI key: AIQMFFCWDAIGNV-UHFFFAOYSA-N
