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

Systemtic Name: tert-butyl (2S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN3C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C

InChI

InChI=1S/C19H25N3O4S/c1-5-25-12-8-9-13-15(11-12)27-17(20-13)21-16(23)14-7-6-10-22(14)18(24)26-19(2,3)4/h8-9,11,14H,5-7,10H2,1-4H3,(H,20,21,23)/t14-/m0/s1