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

Systemtic Name: [4-[2-cyano-3-(cyclohexylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[2-cyano-3-(cyclohexylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(cyclohexylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[2-cyano-3-(cyclohexylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OC(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2CCCCC2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O4S/c1-27-19-13-15(9-10-18(19)28-22(26)20-8-5-11-29-20)12-16(14-23)21(25)24-17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7H2,1H3,(H,24,25)