tert-butyl 2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)N(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)25-18(24)22-11-7-9-14(22)17(23)21(4)12-16-20-13-8-5-6-10-15(13)26-16/h5-6,8,10,14H,7,9,11-12H2,1-4H3