methyl 1-[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(5R)-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl]isonipecotic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

C[C@@H]1CCC2=C(C1)C=C(S2)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C17H23NO3S/c1-11-3-4-14-13(9-11)10-15(22-14)16(19)18-7-5-12(6-8-18)17(20)21-2/h10-12H,3-9H2,1-2H3/t11-/m1/s1