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

Systemtic Name: ethyl 1-[2-[3-chloranyl-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-[3-chloro-4-(2-ethoxyphenyl)sulfanyl-phenyl]prop-2-enoyl]piperidine-2-carboxylate CAS Name: 1-[2-[3-chloro-4-[(2-ethoxyphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-chloro-4-(2-ethoxyphenyl)sulfanylphenyl]prop-2-enoyl]piperidine-2-carboxylate Traditional Name: 1-[2-[3-chloro-4-(o-phenetylthio)phenyl]acryloyl]pipecolinic 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(=C)C(=O)N3CCCCC3C(=O)OCC)Cl

Isomeric SMILES

CCOC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCCCC3C(=O)OCC)Cl

InChI

InChI=1S/C25H28ClNO4S/c1-4-30-21-11-6-7-12-23(21)32-22-14-13-18(16-19(22)26)17(3)24(28)27-15-9-8-10-20(27)25(29)31-5-2/h6-7,11-14,16,20H,3-5,8-10,15H2,1-2H3