1-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]piperidine-4-carboxylic acid Openeye Name: 1-[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]isonipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-2-3-12-13(9-21-14(12)8-10)15(18)17-6-4-11(5-7-17)16(19)20/h9-11H,2-8H2,1H3,(H,19,20)/t10-/m0/s1