[2-oxidanylidene-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [2-oxo-2-[[3-[oxo(propan-2-yloxy)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]ethyl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[(3-isopropoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

InChI

InChI=1S/C22H26N2O6S/c1-4-28-19-15(9-7-11-23-19)21(26)29-12-17(25)24-20-18(22(27)30-13(2)3)14-8-5-6-10-16(14)31-20/h7,9,11,13H,4-6,8,10,12H2,1-3H3,(H,24,25)