[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(2-ethoxyphenyl)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(2-ethoxyphenyl)propanoate CAS Name: 3-(2-ethoxyphenyl)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate Traditional Name: 3-o-phenetylpropionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)OCC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C18H18N2O4S/c1-2-23-15-6-4-3-5-13(15)7-8-17(22)24-12-16(21)20-18-14(11-19)9-10-25-18/h3-6,9-10H,2,7-8,12H2,1H3,(H,20,21)