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

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3-oxo-prop-1-enyl]phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-cyano-3-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C23H17N3O3S2 MolecularWeight: 447.52938

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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=CS3)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=CS3)/C#N)C

InChI

InChI=1S/C23H17N3O3S2/c1-3-18-14(2)31-22(19(18)13-25)26-21(27)16(12-24)11-15-6-8-17(9-7-15)29-23(28)20-5-4-10-30-20/h4-11H,3H2,1-2H3,(H,26,27)/b16-11+