tert-butyl 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[(2-methyl-1,3-benzothiazol-6-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O3S/c1-11-19-13-8-7-12(10-15(13)25-11)20-16(22)14-6-5-9-21(14)17(23)24-18(2,3)4/h7-8,10,14H,5-6,9H2,1-4H3,(H,20,22)