2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[(2-methyl-4-propyl-1,3-thiazol-5-yl)carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-[(2-methyl-4-propyl-1,3-thiazol-5-yl)carbonyl]pyrrolidine-2-carboxylate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(2-methyl-4-propyl-thiazole-5-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-methyl-4-propyl-5-thiazolyl)-oxomethyl]-2-pyrrolidinecarboxylic acid 2-(3,4-dimethoxyphenyl)ethyl ester IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl (2S)-1-(2-methyl-4-propyl-1,3-thiazole-5-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(2-methyl-4-propyl-thiazole-5-carbonyl)pyrrolidine-2-carboxylic acid homoveratryl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=N1)C)C(=O)N2CCCC2C(=O)OCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC1=C(SC(=N1)C)C(=O)N2CCC[C@H]2C(=O)OCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O5S/c1-5-7-17-21(31-15(2)24-17)22(26)25-12-6-8-18(25)23(27)30-13-11-16-9-10-19(28-3)20(14-16)29-4/h9-10,14,18H,5-8,11-13H2,1-4H3/t18-/m0/s1