ethyl 1-[(E)-3-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-3-(3-chloranyl-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-(3-chloro-4-sulfanyl-phenyl)prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-(3-chloro-4-mercaptophenyl)-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-(3-chloro-4-sulfanylphenyl)prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-(3-chloro-4-mercapto-phenyl)acryloyl]nipecotic acid ethyl ester Formula: C17H20ClNO3S MolecularWeight: 353.8636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C=CC2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)/C=C/C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C17H20ClNO3S/c1-2-22-17(21)13-4-3-9-19(11-13)16(20)8-6-12-5-7-15(23)14(18)10-12/h5-8,10,13,23H,2-4,9,11H2,1H3/b8-6+