(phenylmethyl) (2S)-2-[6-(1H-indol-5-yl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(1H-indol-5-yl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(1H-indol-5-yl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(1H-indol-5-yl)-1,3-benzothiazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(1H-indol-5-yl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(1H-indol-5-yl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)C5=CC6=C(C=C5)NC=C6

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)C5=CC6=C(C=C5)NC=C6

InChI

InChI=1S/C27H23N3O2S/c31-27(32-17-18-5-2-1-3-6-18)30-14-4-7-24(30)26-29-23-11-9-20(16-25(23)33-26)19-8-10-22-21(15-19)12-13-28-22/h1-3,5-6,8-13,15-16,24,28H,4,7,14,17H2/t24-/m0/s1