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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCC(C3)C(=O)O)Cl

Isomeric SMILES

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCC(C3)C(=O)O)Cl

InChI

InChI=1S/C23H24ClNO4S/c1-3-29-19-8-4-5-9-21(19)30-20-11-10-16(13-18(20)24)15(2)22(26)25-12-6-7-17(14-25)23(27)28/h4-5,8-11,13,17H,2-3,6-7,12,14H2,1H3,(H,27,28)