methyl 4-[[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]amino]methyl]benzoate CAS Name: 4-[[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]amino]methyl]benzoic acid methyl ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H16ClNO4S/c1-23-17(22)12-4-2-11(3-5-12)10-19-16(21)9-6-13(20)14-7-8-15(18)24-14/h2-5,7-8H,6,9-10H2,1H3,(H,19,21)