(phenylmethyl) (2S)-2-[6-(2-aminocarbonyl-4-cyclopropyl-phenyl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(2-aminocarbonyl-4-cyclopropyl-phenyl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(2-carbamoyl-4-cyclopropyl-phenyl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(2-carbamoyl-4-cyclopropylphenyl)-1,3-benzothiazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(2-carbamoyl-4-cyclopropylphenyl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(2-carbamoyl-4-cyclopropyl-phenyl)-1,3-benzothiazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C29H27N3O3S MolecularWeight: 497.60798

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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=C(C=C(C=C5)C6CC6)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)C5=C(C=C(C=C5)C6CC6)C(=O)N

InChI

InChI=1S/C29H27N3O3S/c30-27(33)23-15-20(19-8-9-19)10-12-22(23)21-11-13-24-26(16-21)36-28(31-24)25-7-4-14-32(25)29(34)35-17-18-5-2-1-3-6-18/h1-3,5-6,10-13,15-16,19,25H,4,7-9,14,17H2,(H2,30,33)/t25-/m0/s1