4-[[4-(3-chlorophenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(3-chlorophenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3-chlorophenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3-chlorophenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbethoxy-4-(3-chlorophenyl)-5-methyl-2-thienyl]amino]-4-keto-butyric acid Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)Cl)C)NC(=O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)Cl)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H18ClNO5S/c1-3-25-18(24)16-15(11-5-4-6-12(19)9-11)10(2)26-17(16)20-13(21)7-8-14(22)23/h4-6,9H,3,7-8H2,1-2H3,(H,20,21)(H,22,23)