phenyl (2S,4R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: phenyl (2S,4R)-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: phenyl (2S,4R)-4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid phenyl ester IUPAC Name: phenyl (2S,4R)-4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid phenyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4CC(CN4C(=O)OC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@@H]4C[C@H](CN4C(=O)OC5=CC=CC=C5)O

InChI

InChI=1S/C26H23N3O4S/c1-16-7-12-21-23(13-16)34-25(28-21)17-8-10-18(11-9-17)27-24(31)22-14-19(30)15-29(22)26(32)33-20-5-3-2-4-6-20/h2-13,19,22,30H,14-15H2,1H3,(H,27,31)/t19-,22+/m1/s1