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

Systemtic Name: ethyl 1-[(E)-3-[3-chloranyl-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(E)-3-[3-chloro-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-3-carboxylate CAS Name: 1-[(E)-3-[3-chloro-4-[(2-ethoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-3-[3-chloro-4-(2-ethoxyphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-3-carboxylate Traditional Name: 1-[(E)-3-[3-chloro-4-(o-phenetylthio)phenyl]acryloyl]nipecotic acid ethyl ester Formula: C25H28ClNO4S MolecularWeight: 474.01212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C=CC(=O)N3CCCC(C3)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)/C=C/C(=O)N3CCCC(C3)C(=O)OCC)Cl

InChI

InChI=1S/C25H28ClNO4S/c1-3-30-21-9-5-6-10-23(21)32-22-13-11-18(16-20(22)26)12-14-24(28)27-15-7-8-19(17-27)25(29)31-4-2/h5-6,9-14,16,19H,3-4,7-8,15,17H2,1-2H3/b14-12+