1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)nipecotic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-10-4-5-13-12(7-10)8-14(21-13)15(18)17-6-2-3-11(9-17)16(19)20/h8,10-11H,2-7,9H2,1H3,(H,19,20)