tert-butyl (2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(4-methyl-1,3-benzothiazol-2-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=C2C(=CC=C1)SC(=N2)NC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23N3O3S/c1-11-7-5-9-13-14(11)19-16(25-13)20-15(22)12-8-6-10-21(12)17(23)24-18(2,3)4/h5,7,9,12H,6,8,10H2,1-4H3,(H,19,20,22)/t12-/m0/s1