[1-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(3-carbomethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4=NC5=CC=CC=C5N=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OC)OC(=O)C4=NC5=CC=CC=C5N=C4

InChI

InChI=1S/C29H27N3O5S/c1-3-23(37-28(34)22-16-30-20-11-7-8-12-21(20)31-22)26(33)32-27-25(29(35)36-2)19-14-13-18(15-24(19)38-27)17-9-5-4-6-10-17/h4-12,16,18,23H,3,13-15H2,1-2H3,(H,32,33)