tert-butyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrrolidine-2-carboxylate CAS Name: 1-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]pyrrolidine-2-carboxylate Traditional Name: 1-(homoveratrylthiocarbamoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C20H30N2O4S MolecularWeight: 394.5282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=S)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=S)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H30N2O4S/c1-20(2,3)26-18(23)15-7-6-12-22(15)19(27)21-11-10-14-8-9-16(24-4)17(13-14)25-5/h8-9,13,15H,6-7,10-12H2,1-5H3,(H,21,27)