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

Systemtic Name: methyl 1-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,3-dichloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[2-(2,3-dichloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dichloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(2,3-dichloro-4-mercapto-phenyl)acryloyl]isonipecotic acid methyl ester Formula: C16H17Cl2NO3S MolecularWeight: 374.28208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C(=C)C2=C(C(=C(C=C2)S)Cl)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C(=C)C2=C(C(=C(C=C2)S)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO3S/c1-9(11-3-4-12(23)14(18)13(11)17)15(20)19-7-5-10(6-8-19)16(21)22-2/h3-4,10,23H,1,5-8H2,2H3