2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-sulfanidyl-butanoate

Systemtic Name: 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-sulfanidyl-butanoate Openeye Name: 2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]-4-sulfido-butanoate CAS Name: 2-[[oxo-[2-phenyl-4-(3-pyridinyloxymethyl)phenyl]methyl]amino]-4-sulfidobutanoate IUPAC Name: 2-[[2-phenyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-sulfidobutanoate Traditional Name: 2-[[2-phenyl-4-(3-pyridyloxymethyl)benzoyl]amino]-4-sulfido-butyrate Formula: C23H20N2O4S-2 MolecularWeight: 420.4809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CC[S-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)COC3=CN=CC=C3)C(=O)NC(CC[S-])C(=O)[O-]

InChI

InChI=1S/C23H22N2O4S/c26-22(25-21(10-12-30)23(27)28)19-9-8-16(15-29-18-7-4-11-24-14-18)13-20(19)17-5-2-1-3-6-17/h1-9,11,13-14,21,30H,10,12,15H2,(H,25,26)(H,27,28)/p-2