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

Systemtic Name: 1-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-mercapto-phenyl)acryloyl]isonipecotic 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)N2CCC(CC2)C(=O)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)Cl)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C15H16ClNO3S/c1-9(11-2-3-13(21)12(16)8-11)14(18)17-6-4-10(5-7-17)15(19)20/h2-3,8,10,21H,1,4-7H2,(H,19,20)