(2S,4R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylsulfanyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-(2-hydroxy-3-methoxy-benzyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylthio)pyrrolidine-2-carboxamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)C3CC(CN3CC4=C(C(=CC=C4)OC)O)SC5=CC=CC=N5

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)[C@@H]3C[C@H](CN3CC4=C(C(=CC=C4)OC)O)SC5=CC=CC=N5

InChI

InChI=1S/C26H26N4O3S2/c1-16-28-20-12-18(9-10-23(20)34-16)29-26(32)21-13-19(35-24-8-3-4-11-27-24)15-30(21)14-17-6-5-7-22(33-2)25(17)31/h3-12,19,21,31H,13-15H2,1-2H3,(H,29,32)/t19-,21+/m1/s1