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

Systemtic Name: (2S,4R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-[(3-ethoxy-4-methoxy-phenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylsulfanyl)pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-N-(2-methyl-1,3-benzothiazol-5-yl)-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-(3-ethoxy-4-methoxy-benzyl)-N-(2-methyl-1,3-benzothiazol-5-yl)-4-(2-pyridylthio)pyrrolidine-2-carboxamide Formula: C28H30N4O3S2 MolecularWeight: 534.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC(CC2C(=O)NC3=CC4=C(C=C3)SC(=N4)C)SC5=CC=CC=N5)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2C[C@@H](C[C@H]2C(=O)NC3=CC4=C(C=C3)SC(=N4)C)SC5=CC=CC=N5)OC

InChI

InChI=1S/C28H30N4O3S2/c1-4-35-25-13-19(8-10-24(25)34-3)16-32-17-21(37-27-7-5-6-12-29-27)15-23(32)28(33)31-20-9-11-26-22(14-20)30-18(2)36-26/h5-14,21,23H,4,15-17H2,1-3H3,(H,31,33)/t21-,23+/m1/s1