(phenylmethyl) 4-phenylsulfanyl-2-[2-(1,3-thiazol-2-ylcarbonyl)pyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-phenylsulfanyl-2-[2-(1,3-thiazol-2-ylcarbonyl)pyrrolidin-1-yl]carbonyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 4-phenylsulfanyl-2-[2-(thiazole-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[2-[oxo(2-thiazolyl)methyl]-1-pyrrolidinyl]methyl]-4-(phenylthio)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-phenylsulfanyl-2-[2-(1,3-thiazole-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 4-(phenylthio)-2-[2-(thiazole-2-carbonyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)C(=O)C5=NC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)C2CC(CN2C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)C(=O)C5=NC=CS5

InChI

InChI=1S/C27H27N3O4S2/c31-24(25-28-13-15-35-25)22-12-7-14-29(22)26(32)23-16-21(36-20-10-5-2-6-11-20)17-30(23)27(33)34-18-19-8-3-1-4-9-19/h1-6,8-11,13,15,21-23H,7,12,14,16-18H2