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

Systemtic Name: 1-[2-[2,3-bis(chloranyl)-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-[2,3-dichloro-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylic acid CAS Name: 1-[2-[2,3-dichloro-4-[(2-ethoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-[2,3-dichloro-4-(2-ethoxyphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-[2,3-dichloro-4-(o-phenetylthio)phenyl]acryloyl]nipecotic acid Formula: C23H23Cl2NO4S MolecularWeight: 480.40402

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H23Cl2NO4S/c1-3-30-17-8-4-5-9-18(17)31-19-11-10-16(20(24)21(19)25)14(2)22(27)26-12-6-7-15(13-26)23(28)29/h4-5,8-11,15H,2-3,6-7,12-13H2,1H3,(H,28,29)