butyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: butyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate Openeye Name: butyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-thiazolidine-4-carboxylate CAS Name: (2R,4S)-2-(2-chlorophenyl)-3-(1-oxohexyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl (2R,4S)-2-(2-chlorophenyl)-3-hexanoyl-1,3-thiazolidine-4-carboxylate Traditional Name: (2R,4S)-3-caproyl-2-(2-chlorophenyl)thiazolidine-4-carboxylic acid butyl ester Formula: C20H28ClNO3S MolecularWeight: 397.95922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CSC1C2=CC=CC=C2Cl)C(=O)OCCCC

Isomeric SMILES

CCCCCC(=O)N1[C@H](CS[C@@H]1C2=CC=CC=C2Cl)C(=O)OCCCC

InChI

InChI=1S/C20H28ClNO3S/c1-3-5-7-12-18(23)22-17(20(24)25-13-6-4-2)14-26-19(22)15-10-8-9-11-16(15)21/h8-11,17,19H,3-7,12-14H2,1-2H3/t17-,19-/m1/s1