[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoate CAS Name: 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)methoxy]-3-methoxybenzoate Traditional Name: 4-(4-chlorobenzyl)oxy-3-methoxy-benzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H17ClN2O5S MolecularWeight: 456.89878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)OCC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=C(C=CS2)C#N)OCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H17ClN2O5S/c1-28-19-10-15(4-7-18(19)29-12-14-2-5-17(23)6-3-14)22(27)30-13-20(26)25-21-16(11-24)8-9-31-21/h2-10H,12-13H2,1H3,(H,25,26)