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

Systemtic Name: 1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methyl-phenyl]prop-2-enoyl]piperidine-4-carboxylic acid CAS Name: 1-[(E)-3-[4-[(2-methoxyphenyl)thio]-2-methylphenyl]-1-oxoprop-2-enyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(E)-3-[4-(2-methoxyphenyl)sulfanyl-2-methylphenyl]prop-2-enoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(E)-3-[4-[(2-methoxyphenyl)thio]-2-methyl-phenyl]acryloyl]isonipecotic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC2=CC=CC=C2OC)C=CC(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC2=CC=CC=C2OC)/C=C/C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H25NO4S/c1-16-15-19(29-21-6-4-3-5-20(21)28-2)9-7-17(16)8-10-22(25)24-13-11-18(12-14-24)23(26)27/h3-10,15,18H,11-14H2,1-2H3,(H,26,27)/b10-8+