1-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2,3-dichloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2,3-dichloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(2,3-dichloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2,3-dichloro-4-mercapto-phenyl)acryloyl]nipecotic acid Formula: C15H15Cl2NO3S MolecularWeight: 360.2555

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H15Cl2NO3S/c1-8(10-4-5-11(22)13(17)12(10)16)14(19)18-6-2-3-9(7-18)15(20)21/h4-5,9,22H,1-3,6-7H2,(H,20,21)