[4-(phenylcarbamoyl)phenyl]methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [4-(phenylcarbamoyl)phenyl]methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [4-(phenylcarbamoyl)phenyl]methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [4-[anilino(oxo)methyl]phenyl]methyl ester IUPAC Name: [4-(phenylcarbamoyl)phenyl]methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [4-(phenylcarbamoyl)benzyl] ester Formula: C22H18ClNO4S MolecularWeight: 427.90062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClNO4S/c23-20-12-11-19(29-20)18(25)10-13-21(26)28-14-15-6-8-16(9-7-15)22(27)24-17-4-2-1-3-5-17/h1-9,11-12H,10,13-14H2,(H,24,27)