1-[(E)-3-[2,3-bis(chloranyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-[2,3-bis(chloranyl)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-[2,3-dichloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-[2,3-dichloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[2,3-dichloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-[2,3-dichloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)phenyl]acryloyl]isonipecotic acid Formula: C23H21Cl2NO5S MolecularWeight: 494.38754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C=CC2=C(C(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)/C=C/C2=C(C(=C(C=C2)SC3=CC4=C(C=C3)OCCO4)Cl)Cl

InChI

InChI=1S/C23H21Cl2NO5S/c24-21-14(2-6-20(27)26-9-7-15(8-10-26)23(28)29)1-5-19(22(21)25)32-16-3-4-17-18(13-16)31-12-11-30-17/h1-6,13,15H,7-12H2,(H,28,29)/b6-2+