[1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate Openeye Name: [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O3S MolecularWeight: 420.4842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C(C)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H20N4O3S/c1-12-7-8-14-15(10-23)21(30-19(14)9-12)26-20(27)13(2)29-22(28)18-11-24-16-5-3-4-6-17(16)25-18/h3-6,11-13H,7-9H2,1-2H3,(H,26,27)