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

Systemtic Name: ethyl 1-[1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-1-methyl-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-1-methyl-ethyl]isonipecotic acid ethyl ester Formula: C23H34N2O5S MolecularWeight: 450.59146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OCC

InChI

InChI=1S/C23H34N2O5S/c1-5-29-22(27)16-9-11-25(12-10-16)15(4)20(26)24-21-19(23(28)30-6-2)17-8-7-14(3)13-18(17)31-21/h14-16H,5-13H2,1-4H3,(H,24,26)