1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-mercaptophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-mercaptophenyl)acryloyl]isonipecotic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1S)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

C=C(C1=CC=CC=C1S)C(=O)N2CCC(CC2)C(=O)O

InChI

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