[4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C23H18N2O4S/c1-28-20-13-17(9-10-19(20)29-23(27)21-8-5-11-30-21)12-18(14-24)22(26)25-15-16-6-3-2-4-7-16/h2-13H,15H2,1H3,(H,25,26)/b18-12+