(E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonyl-thiophen-3-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonyl-3-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonyl-3-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[5-(4-chlorophenyl)-2-methoxycarbonylthiophen-3-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[2-carbomethoxy-5-(4-chlorophenyl)-3-thienyl]amino]-4-keto-but-2-enoic acid Formula: C16H12ClNO5S MolecularWeight: 365.78818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)C=CC(=O)O

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)Cl)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H12ClNO5S/c1-23-16(22)15-11(18-13(19)6-7-14(20)21)8-12(24-15)9-2-4-10(17)5-3-9/h2-8H,1H3,(H,18,19)(H,20,21)/b7-6+