1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-mercaptophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-mercaptophenyl)acryloyl]nipecotic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1S)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

C=C(C1=CC=CC=C1S)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H17NO3S/c1-10(12-6-2-3-7-13(12)20)14(17)16-8-4-5-11(9-16)15(18)19/h2-3,6-7,11,20H,1,4-5,8-9H2,(H,18,19)