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

Systemtic Name: 1-[2-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(3-chloro-4-mercapto-phenyl)acryloyl]nipecotic 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)N2CCCC(C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClNO3S/c1-9(10-4-5-13(21)12(16)7-10)14(18)17-6-2-3-11(8-17)15(19)20/h4-5,7,11,21H,1-3,6,8H2,(H,19,20)