tert-butyl 4-(1,3-benzodioxol-5-ylamino)-2-(1,3-thiazolidin-2-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(1,3-benzodioxol-5-ylamino)-2-(1,3-thiazolidin-2-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(1,3-benzodioxol-5-ylamino)-2-(thiazolidine-2-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylamino)-2-[oxo(2-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1,3-benzodioxol-5-ylamino)-2-(1,3-thiazolidine-2-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-ylamino)-2-(thiazolidine-2-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)C2NCCS2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)C2NCCS2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H27N3O5S/c1-20(2,3)28-19(25)23-10-13(8-14(23)17(24)18-21-6-7-29-18)22-12-4-5-15-16(9-12)27-11-26-15/h4-5,9,13-14,18,21-22H,6-8,10-11H2,1-3H3