[1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-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-2-carboxylate Openeye Name: 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-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-2-carboxylate Traditional Name: quinoxaline-2-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=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

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