1-[(E)-3-[5-chloranyl-4-(2-methoxyphenyl)sulfanyl-2-methyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(E)-3-[5-chloranyl-4-(2-methoxyphenyl)sulfanyl-2-methyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-[5-chloro-4-(2-methoxyphenyl)sulfanyl-2-methyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-[5-chloro-4-[(2-methoxyphenyl)thio]-2-methylphenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[5-chloro-4-(2-methoxyphenyl)sulfanyl-2-methylphenyl]prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-[5-chloro-4-[(2-methoxyphenyl)thio]-2-methyl-phenyl]acryloyl]isonipecotic acid Formula: C23H24ClNO4S MolecularWeight: 445.95896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=CC(=O)N2CCC(CC2)C(=O)O)Cl)SC3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=C(C=C1/C=C/C(=O)N2CCC(CC2)C(=O)O)Cl)SC3=CC=CC=C3OC

InChI

InChI=1S/C23H24ClNO4S/c1-15-13-21(30-20-6-4-3-5-19(20)29-2)18(24)14-17(15)7-8-22(26)25-11-9-16(10-12-25)23(27)28/h3-8,13-14,16H,9-12H2,1-2H3,(H,27,28)/b8-7+