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

Systemtic Name: ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]piperidine-4-carboxylate CAS Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]isonipecotic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C20H27N3O3S/c1-2-26-20(25)14-7-10-23(11-8-14)12-9-18(24)22-19-16(13-21)15-5-3-4-6-17(15)27-19/h14H,2-12H2,1H3,(H,22,24)