4-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-cyano-3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-3-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-cyano-3-keto-prop-1-enyl]benzoic acid Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CC=C(C=C2)C(=O)O)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CC=C(C=C2)C(=O)O)/C#N

InChI

InChI=1S/C20H18N2O5S/c1-4-27-20(26)16-11(2)12(3)28-18(16)22-17(23)15(10-21)9-13-5-7-14(8-6-13)19(24)25/h5-9H,4H2,1-3H3,(H,22,23)(H,24,25)/b15-9+