[4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] cyclohexanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] cyclohexanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]phenyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]phenyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]phenyl] ester Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H19N3O3S/c23-13-17-10-11-29-21(17)25-20(26)18(14-24)12-15-6-8-19(9-7-15)28-22(27)16-4-2-1-3-5-16/h6-12,16H,1-5H2,(H,25,26)/b18-12+