(phenylmethyl) (2S)-2-(1,3-benzothiazol-6-ylcarbamoyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(1,3-benzothiazol-6-ylcarbamoyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-(1,3-benzothiazol-6-ylcarbamoyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-[(1,3-benzothiazol-6-ylamino)-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(1,3-benzothiazol-6-ylcarbamoyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(1,3-benzothiazol-6-ylcarbamoyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H19N3O3S/c24-19(22-15-8-9-16-18(11-15)27-13-21-16)17-7-4-10-23(17)20(25)26-12-14-5-2-1-3-6-14/h1-3,5-6,8-9,11,13,17H,4,7,10,12H2,(H,22,24)/t17-/m0/s1