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

Systemtic Name: 1-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[2-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-mercapto-phenyl)acryloyl]pipecolinic acid Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCCCC2C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCCCC2C(=O)O

InChI

InChI=1S/C15H16ClNO3S/c1-9(10-5-6-13(21)11(16)8-10)14(18)17-7-3-2-4-12(17)15(19)20/h5-6,8,12,21H,1-4,7H2,(H,19,20)