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

Systemtic Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(3-cyano-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C#N)OC(=O)C4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C28H24N4O3S/c1-2-23(35-28(34)20-9-6-10-22-25(20)31-14-13-30-22)26(33)32-27-21(16-29)19-12-11-18(15-24(19)36-27)17-7-4-3-5-8-17/h3-10,13-14,18,23H,2,11-12,15H2,1H3,(H,32,33)