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

Systemtic Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] quinoxaline-5-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid [2-[(3-carbethoxy-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C29H27N3O5S MolecularWeight: 529.60678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C)OC(=O)C4=C5C(=CC=C4)N=CC=N5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)C(C)OC(=O)C4=C5C(=CC=C4)N=CC=N5

InChI

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