2-[4-morpholin-4-ylcarbonyl-6-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]oxy-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[4-morpholin-4-ylcarbonyl-6-phenylmethoxy-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indol-1-yl]oxy-2-oxidanylidene-ethanoic acid Openeye Name: 2-[6-benzyloxy-4-(morpholine-4-carbonyl)-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]oxy-2-oxo-acetic acid CAS Name: 2-[[4-[4-morpholinyl(oxo)methyl]-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-6-phenylmethoxy-1-indolyl]oxy]-2-oxoacetic acid IUPAC Name: 2-[4-(morpholine-4-carbonyl)-6-phenylmethoxy-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indol-1-yl]oxy-2-oxoacetic acid Traditional Name: 2-[6-benzoxy-4-(morpholine-4-carbonyl)-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indol-1-yl]oxy-2-keto-acetic acid Formula: C31H28N4O8S MolecularWeight: 616.64102

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=CC3=C2C(=CN3OC(=O)C(=O)O)C(=O)C4CN(SC4)C5=CN=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=CC3=C2C(=CN3OC(=O)C(=O)O)C(=O)C4CN(SC4)C5=CN=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H28N4O8S/c36-28(21-16-35(44-19-21)22-7-4-8-32-15-22)25-17-34(43-31(40)30(38)39)26-14-23(42-18-20-5-2-1-3-6-20)13-24(27(25)26)29(37)33-9-11-41-12-10-33/h1-8,13-15,17,21H,9-12,16,18-19H2,(H,38,39)