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

Systemtic Name: [1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-4,5-dihydrobenzo[g]benzothiophen-2-yl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-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-5-carboxylate Traditional Name: quinoxaline-5-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=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)C3=CC=CC=C3CC2)C(=O)OC)OC(=O)C4=C5C(=CC=C4)N=CC=N5

InChI

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