methyl (2R,4S)-3-(4-butylphenyl)carbonyl-2-cyclohexyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl (2R,4S)-3-(4-butylphenyl)carbonyl-2-cyclohexyl-1,3-thiazolidine-4-carboxylate Openeye Name: methyl (2R,4S)-3-(4-butylbenzoyl)-2-cyclohexyl-thiazolidine-4-carboxylate CAS Name: (2R,4S)-3-[(4-butylphenyl)-oxomethyl]-2-cyclohexyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-3-(4-butylbenzoyl)-2-cyclohexyl-1,3-thiazolidine-4-carboxylate Traditional Name: (2R,4S)-3-(4-butylbenzoyl)-2-cyclohexyl-thiazolidine-4-carboxylic acid methyl ester Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3CCCCC3)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2[C@H](CS[C@@H]2C3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H31NO3S/c1-3-4-8-16-11-13-17(14-12-16)20(24)23-19(22(25)26-2)15-27-21(23)18-9-6-5-7-10-18/h11-14,18-19,21H,3-10,15H2,1-2H3/t19-,21-/m1/s1