(phenylmethyl) 2-[2-(1,2-thiazol-3-ylcarbonyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-(1,2-thiazol-3-ylcarbonyl)pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[2-(isothiazole-3-carbonyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[2-[3-isothiazolyl(oxo)methyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(1,2-thiazole-3-carbonyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(isothiazole-3-carbonyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)C4=NSC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)C2CCCN2C(=O)OCC3=CC=CC=C3)C(=O)C4=NSC=C4

InChI

InChI=1S/C21H23N3O4S/c25-19(16-10-13-29-22-16)17-8-4-11-23(17)20(26)18-9-5-12-24(18)21(27)28-14-15-6-2-1-3-7-15/h1-3,6-7,10,13,17-18H,4-5,8-9,11-12,14H2