5-ethyl-3-[(5-ethyl-2-oxidanyl-4-oxidanylidene-6-sulfanylidene-1H-pyridin-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-oxidanylidene-6-sulfanylidene-1H-pyridin-2-olate

Systemtic Name: 5-ethyl-3-[(5-ethyl-2-oxidanyl-4-oxidanylidene-6-sulfanylidene-1H-pyridin-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-oxidanylidene-6-sulfanylidene-1H-pyridin-2-olate Openeye Name: 5-ethyl-3-[(5-ethyl-2-hydroxy-4-oxo-6-thioxo-1H-pyridin-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-oxo-6-thioxo-1H-pyridin-2-olate CAS Name: 5-ethyl-3-[(5-ethyl-2-hydroxy-4-oxo-6-sulfanylidene-1H-pyridin-3-yl)-[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-oxo-6-sulfanylidene-1H-pyridin-2-olate IUPAC Name: 5-ethyl-3-[(5-ethyl-2-hydroxy-4-oxo-6-sulfanylidene-1H-pyridin-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-oxo-6-sulfanylidene-1H-pyridin-2-olate Traditional Name: 5-ethyl-3-[(5-ethyl-2-hydroxy-4-keto-6-thioxo-1H-pyridin-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-4-keto-6-thioxo-1H-pyridin-2-olate Formula: C28H35N3O5S2 MolecularWeight: 557.7246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)C(=C(NC1=S)O)C(C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C4=C(NC(=S)C(C4=O)CC)[O-]

Isomeric SMILES

CCC1C(=O)C(=C(NC1=S)O)C(C2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C4=C(NC(=S)C(C4=O)CC)[O-]

InChI

InChI=1S/C28H35N3O5S2/c1-4-17-23(32)21(25(34)29-27(17)37)20(22-24(33)18(5-2)28(38)30-26(22)35)15-9-10-19(36-3)16(13-15)14-31-11-7-6-8-12-31/h9-10,13,17-18,20,34-35H,4-8,11-12,14H2,1-3H3,(H,29,37)(H,30,38)