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

Systemtic Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-5-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid [2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OC)OC(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C22H21N3O5S/c1-12(30-21(27)14-7-5-8-15-18(14)24-11-10-23-15)19(26)25-20-17(22(28)29-2)13-6-3-4-9-16(13)31-20/h5,7-8,10-12H,3-4,6,9H2,1-2H3,(H,25,26)