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

Systemtic Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C26H28N4O3S MolecularWeight: 476.59052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C26H28N4O3S/c1-5-20(33-25(32)17-7-6-8-19-22(17)29-12-11-28-19)23(31)30-24-18(14-27)16-10-9-15(26(2,3)4)13-21(16)34-24/h6-8,11-12,15,20H,5,9-10,13H2,1-4H3,(H,30,31)