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

Systemtic Name: 1-[(E)-3-[3-chloranyl-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-2-carboxylic acid Openeye Name: 1-[(E)-3-[3-chloro-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-2-carboxylic acid CAS Name: 1-[(E)-3-[3-chloro-4-[(2-ethoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[3-chloro-4-(2-ethoxyphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-2-carboxylic acid Traditional Name: 1-[(E)-3-[3-chloro-4-(o-phenetylthio)phenyl]acryloyl]pipecolinic acid Formula: C23H24ClNO4S MolecularWeight: 445.95896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCCCC3C(=O)O)Cl

Isomeric SMILES

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCCCC3C(=O)O)Cl

InChI

InChI=1S/C23H24ClNO4S/c1-2-29-19-8-3-4-9-21(19)30-20-12-10-16(15-17(20)24)11-13-22(26)25-14-6-5-7-18(25)23(27)28/h3-4,8-13,15,18H,2,5-7,14H2,1H3,(H,27,28)/b13-11+