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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)COC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC3=CC=CC=C32)NC(=O)COC(=O)C4=NC5=CC=CC=C5N=C4

InChI

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