ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-nitro-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-nitro-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-nitro-phenyl]piperidine-4-carboxylate CAS Name: 1-[2-[[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-4-nitrophenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-4-nitrophenyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-carbethoxy-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]-4-nitro-phenyl]isonipecotic acid ethyl ester Formula: C26H31N3O7S MolecularWeight: 529.60524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC

InChI

InChI=1S/C26H31N3O7S/c1-3-35-25(31)16-11-13-28(14-12-16)20-10-9-17(29(33)34)15-19(20)23(30)27-24-22(26(32)36-4-2)18-7-5-6-8-21(18)37-24/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,27,30)