ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxylate CAS Name: 1-[2-(2-mercaptophenyl)-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-2-carboxylate Traditional Name: 1-[2-(2-mercaptophenyl)acryloyl]pipecolinic acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)C(=C)C2=CC=CC=C2S

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)C(=C)C2=CC=CC=C2S

InChI

InChI=1S/C17H21NO3S/c1-3-21-17(20)14-9-6-7-11-18(14)16(19)12(2)13-8-4-5-10-15(13)22/h4-5,8,10,14,22H,2-3,6-7,9,11H2,1H3