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

Systemtic Name: [1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-ethoxypyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl] 2-ethoxypyridine-3-carboxylate CAS Name: 2-ethoxy-3-pyridinecarboxylic acid [1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate Traditional Name: 2-ethoxynicotinic acid [2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)OC(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C23H28N2O6S/c1-5-29-20-16(8-7-11-24-20)22(27)31-14(4)19(26)25-21-18(23(28)30-6-2)15-10-9-13(3)12-17(15)32-21/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,25,26)