[4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] benzoate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] benzoate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] benzoate CAS Name: benzoic acid [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OCC)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OCC)/C#N)C

InChI

InChI=1S/C27H23N3O4S/c1-4-21-17(3)35-26(22(21)16-29)30-25(31)20(15-28)13-18-11-12-23(24(14-18)33-5-2)34-27(32)19-9-7-6-8-10-19/h6-14H,4-5H2,1-3H3,(H,30,31)/b20-13+