(phenylmethyl) (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H23N3O3S/c30-24(22-10-6-16-29(22)26(31)32-17-18-7-2-1-3-8-18)27-20-14-12-19(13-15-20)25-28-21-9-4-5-11-23(21)33-25/h1-5,7-9,11-15,22H,6,10,16-17H2,(H,27,30)/t22-/m0/s1