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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=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/c1-4-30-21-10-6-7-11-23(21)32-22-13-12-18(15-20(22)26)17(3)24(28)27-14-8-9-19(16-27)25(29)31-5-2/h6-7,10-13,15,19H,3-5,8-9,14,16H2,1-2H3