3-(3,4-dimethoxyphenyl)propyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate

Systemtic Name: 3-(3,4-dimethoxyphenyl)propyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate Openeye Name: 3-(3,4-dimethoxyphenyl)propyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(cyclohexylamino)-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid 3-(3,4-dimethoxyphenyl)propyl ester IUPAC Name: 3-(3,4-dimethoxyphenyl)propyl (2S)-1-(cyclohexylcarbamothioyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(cyclohexylthiocarbamoyl)pyrrolidine-2-carboxylic acid 3-(3,4-dimethoxyphenyl)propyl ester Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCCOC(=O)C2CCCN2C(=S)NC3CCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCCOC(=O)[C@@H]2CCCN2C(=S)NC3CCCCC3)OC

InChI

InChI=1S/C23H34N2O4S/c1-27-20-13-12-17(16-21(20)28-2)8-7-15-29-22(26)19-11-6-14-25(19)23(30)24-18-9-4-3-5-10-18/h12-13,16,18-19H,3-11,14-15H2,1-2H3,(H,24,30)/t19-/m0/s1