ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[2-(2-mercaptophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2-mercaptophenyl)acryloyl]nipecotic acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C(=C)C2=CC=CC=C2S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C(=C)C2=CC=CC=C2S

InChI

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