2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-6-sulfanylidene-hexanoic acid

Systemtic Name: 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-6-sulfanylidene-hexanoic acid Openeye Name: 2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]-6-thioxo-hexanoic acid CAS Name: 2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]-6-sulfanylidenehexanoic acid IUPAC Name: 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]-6-sulfanylidenehexanoic acid Traditional Name: 2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]-6-thioxo-hexanoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCCC=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CCCC=S)C(=O)O

InChI

InChI=1S/C25H24N2O4S/c28-24(27-23(25(29)30)10-4-5-14-32)21-12-11-18(17-31-20-9-6-13-26-16-20)15-22(21)19-7-2-1-3-8-19/h1-3,6-9,11-16,23H,4-5,10,17H2,(H,27,28)(H,29,30)