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

Systemtic Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(3-carbomethoxy-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl ester Formula: C27H23N3O5S MolecularWeight: 501.55362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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