1-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methyl-1-benzothiophen-2-yl)carbonyl]piperidine-3-carboxylic acid Openeye Name: 1-(3-methylbenzothiophene-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-1-benzothiophen-2-yl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(3-methyl-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(3-methylbenzothiophene-2-carbonyl)nipecotic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C16H17NO3S/c1-10-12-6-2-3-7-13(12)21-14(10)15(18)17-8-4-5-11(9-17)16(19)20/h2-3,6-7,11H,4-5,8-9H2,1H3,(H,19,20)