(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl 4-(2,5-dimethylphenyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl 4-(2,5-dimethylphenyl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethylphenyl)-4-keto-butyric acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CCC(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C20H19NO3S2/c1-13-3-4-14(2)17(9-13)18(22)5-6-19(23)24-10-16-12-26-20(21-16)15-7-8-25-11-15/h3-4,7-9,11-12H,5-6,10H2,1-2H3