4-[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-thiophen-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-2-thienyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(3,4-dichlorophenyl)-3-methoxycarbonyl-2-thiophenyl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(3,4-dichlorophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[3-carbomethoxy-4-(3,4-dichlorophenyl)-2-thienyl]amino]-4-keto-butyric acid Formula: C16H13Cl2NO5S MolecularWeight: 402.24912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2NO5S/c1-24-16(23)14-9(8-2-3-10(17)11(18)6-8)7-25-15(14)19-12(20)4-5-13(21)22/h2-3,6-7H,4-5H2,1H3,(H,19,20)(H,21,22)