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

Systemtic Name: [1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-2-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid [2-[(3-carbethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O5S/c1-3-34-27(33)22-18-13-12-16-8-4-5-9-17(16)23(18)36-25(22)30-24(31)15(2)35-26(32)21-14-28-19-10-6-7-11-20(19)29-21/h4-11,14-15H,3,12-13H2,1-2H3,(H,30,31)