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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-methylphenyl)methoxy]benzoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-(m-tolylmethoxy)benzoate CAS Name: 2-[(3-methylphenyl)methoxy]benzoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate Traditional Name: 2-(3-methylbenzyl)oxybenzoic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H18N2O4S/c1-15-5-4-6-16(11-15)13-27-19-8-3-2-7-18(19)22(26)28-14-20(25)24-21-17(12-23)9-10-29-21/h2-11H,13-14H2,1H3,(H,24,25)