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

Systemtic Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-5-carboxylate Openeye Name: 1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid 1-[(3-carbethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C30H29N3O5S MolecularWeight: 543.63336

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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)OCC)OC(=O)C4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C3=CC=CC=C3)C(=O)OCC)OC(=O)C4=C5C(=CC=C4)N=CC=N5

InChI

InChI=1S/C30H29N3O5S/c1-3-23(38-29(35)21-11-8-12-22-26(21)32-16-15-31-22)27(34)33-28-25(30(36)37-4-2)20-14-13-19(17-24(20)39-28)18-9-6-5-7-10-18/h5-12,15-16,19,23H,3-4,13-14,17H2,1-2H3,(H,33,34)