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

Systemtic Name: tert-butyl 2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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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)OC(C)(C)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-14-5-10-18-20(11-14)32-22(26-18)15-6-8-16(9-7-15)25-21(29)19-12-17(28)13-27(19)23(30)31-24(2,3)4/h5-11,17,19,28H,12-13H2,1-4H3,(H,25,29)