[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H22N4O4S/c1-2-3-11-26-18-7-5-4-6-16(18)24-17(22(26)29)8-9-20(28)30-14-19(27)25-21-15(13-23)10-12-31-21/h4-7,10,12H,2-3,8-9,11,14H2,1H3,(H,25,27)