[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-isopropylphenyl)thiazol-4-yl]methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(4-propan-2-ylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (2-p-cumenylthiazol-4-yl)methyl ester Formula: C21H20ClNO3S2 MolecularWeight: 433.9714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H20ClNO3S2/c1-13(2)14-3-5-15(6-4-14)21-23-16(12-27-21)11-26-20(25)10-7-17(24)18-8-9-19(22)28-18/h3-6,8-9,12-13H,7,10-11H2,1-2H3