tert-butyl 2-[2-[1,3-benzothiazol-2-ylsulfanylcarbonyl(propan-2-yl)amino]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[1,3-benzothiazol-2-ylsulfanylcarbonyl(propan-2-yl)amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[1,3-benzothiazol-2-ylsulfanylcarbonyl(isopropyl)amino]acetyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[[(1,3-benzothiazol-2-ylthio)-oxomethyl]-propan-2-ylamino]-1-oxoethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[1,3-benzothiazol-2-ylsulfanylcarbonyl(propan-2-yl)amino]acetyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[(1,3-benzothiazol-2-ylthio)carbonyl-isopropyl-amino]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H29N3O4S2/c1-14(2)25(21(28)31-19-23-15-9-6-7-11-18(15)30-19)13-17(26)16-10-8-12-24(16)20(27)29-22(3,4)5/h6-7,9,11,14,16H,8,10,12-13H2,1-5H3