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

Systemtic Name: methyl 1-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H25N3O3S/c1-12-3-4-14-15(10-20)18(26-16(14)9-12)21-17(23)11-22-7-5-13(6-8-22)19(24)25-2/h12-13H,3-9,11H2,1-2H3,(H,21,23)