dimethyl 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-1-oxidanyl-naphthalen-2-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-1-hydroxy-naphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[4-(1,3-benzothiazol-2-ylthio)-1-hydroxy-2-naphthalenyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(1,3-benzothiazol-2-ylsulfanyl)-1-hydroxynaphthalene-2-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(1,3-benzothiazol-2-ylthio)-1-hydroxy-2-naphthoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C28H20N2O6S2 MolecularWeight: 544.5982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NC5=CC=CC=C5S4)O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2=C(C3=CC=CC=C3C(=C2)SC4=NC5=CC=CC=C5S4)O)C(=O)OC

InChI

InChI=1S/C28H20N2O6S2/c1-35-26(33)15-11-16(27(34)36-2)13-17(12-15)29-25(32)20-14-23(18-7-3-4-8-19(18)24(20)31)38-28-30-21-9-5-6-10-22(21)37-28/h3-14,31H,1-2H3,(H,29,32)