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

Systemtic Name: methyl 5-[[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)C2=CC=C(S2)Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)C2=CC=C(S2)Cl)C(=O)OC

InChI

InChI=1S/C18H18ClNO5S/c1-24-14-5-3-11(9-12(14)18(23)25-2)10-20-17(22)8-4-13(21)15-6-7-16(19)26-15/h3,5-7,9H,4,8,10H2,1-2H3,(H,20,22)