(7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C20H16ClNO6S MolecularWeight: 433.86214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H16ClNO6S/c1-11(23)22-13-2-3-14-12(8-20(26)28-16(14)9-13)10-27-19(25)7-4-15(24)17-5-6-18(21)29-17/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,22,23)