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

Systemtic Name: (E)-4-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methyl-thiophen-2-yl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methyl-2-thienyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methyl-2-thiophenyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[4-(4-chlorophenyl)-3-ethoxycarbonyl-5-methylthiophen-2-yl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[3-carbethoxy-4-(4-chlorophenyl)-5-methyl-2-thienyl]amino]-4-keto-but-2-enoic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5S/c1-3-25-18(24)16-15(11-4-6-12(19)7-5-11)10(2)26-17(16)20-13(21)8-9-14(22)23/h4-9H,3H2,1-2H3,(H,20,21)(H,22,23)/b9-8+