methyl 3-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 3-[[4-(5-chloro-2-thienyl)-4-oxo-butanoyl]amino]-4-methyl-benzoate CAS Name: 3-[[4-(5-chloro-2-thiophenyl)-1,4-dioxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(5-chlorothiophen-2-yl)-4-oxobutanoyl]amino]-4-methylbenzoate Traditional Name: 3-[[4-(5-chloro-2-thienyl)-4-keto-butanoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C17H16ClNO4S/c1-10-3-4-11(17(22)23-2)9-12(10)19-16(21)8-5-13(20)14-6-7-15(18)24-14/h3-4,6-7,9H,5,8H2,1-2H3,(H,19,21)