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

Systemtic Name: 4-azanyl-1-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 4-amino-1-[2-(2,3-dichloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 4-amino-1-[2-(2,3-dichloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 4-amino-1-[2-(2,3-dichloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 4-amino-1-[2-(2,3-dichloro-4-mercapto-phenyl)acryloyl]isonipecotic acid Formula: C15H16Cl2N2O3S MolecularWeight: 375.27014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16Cl2N2O3S/c1-8(9-2-3-10(23)12(17)11(9)16)13(20)19-6-4-15(18,5-7-19)14(21)22/h2-3,23H,1,4-7,18H2,(H,21,22)