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

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-[(2-phenoxyphenyl)amino]prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[2-cyano-3-keto-3-(2-phenoxyanilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3)OC(=O)C4=CC=CS4

InChI

InChI=1S/C28H20N2O5S/c1-33-25-17-19(13-14-24(25)35-28(32)26-12-7-15-36-26)16-20(18-29)27(31)30-22-10-5-6-11-23(22)34-21-8-3-2-4-9-21/h2-17H,1H3,(H,30,31)