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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CC(=C(C=C2)S)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)S)Cl

InChI

InChI=1S/C17H20ClNO3S/c1-2-22-17(21)13-7-9-19(10-8-13)16(20)6-4-12-3-5-15(23)14(18)11-12/h3-6,11,13,23H,2,7-10H2,1H3/b6-4+