[1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-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-propan-2-yl] quinoxaline-2-carboxylate Openeye Name: [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 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-oxopropan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C25H26N4O3S MolecularWeight: 462.56394

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C25H26N4O3S/c1-14(32-24(31)20-13-27-18-7-5-6-8-19(18)28-20)22(30)29-23-17(12-26)16-10-9-15(25(2,3)4)11-21(16)33-23/h5-8,13-15H,9-11H2,1-4H3,(H,29,30)