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

Systemtic Name: 1-[2-[3-chloranyl-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[3-chloro-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[3-chloro-4-[(2-ethoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[3-chloro-4-(2-ethoxyphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[3-chloro-4-(o-phenetylthio)phenyl]acryloyl]isonipecotic 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(=C)C(=O)N3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(CC3)C(=O)O)Cl

InChI

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