[1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-[(3-carbomethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C26H21N3O5S/c1-14(34-25(31)20-13-27-18-9-5-6-10-19(18)28-20)23(30)29-24-21(26(32)33-2)17-12-11-15-7-3-4-8-16(15)22(17)35-24/h3-10,13-14H,11-12H2,1-2H3,(H,29,30)