methyl (5E)-3-iodanyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: methyl (5E)-3-iodanyl-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: methyl (5E)-3-iodo-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]-6-oxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: (5E)-3-iodo-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid methyl ester IUPAC Name: methyl (5E)-3-iodo-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: (5E)-3-iodo-6-keto-5-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]cyclohexa-1,3-diene-1-carboxylic acid methyl ester Formula: C22H16IN3O3S MolecularWeight: 529.35021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NN=C4C=C(C=C(C4=O)C(=O)OC)I

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C=C(C=C(C4=O)C(=O)OC)I

InChI

InChI=1S/C22H16IN3O3S/c1-12-3-8-17-19(9-12)30-21(24-17)13-4-6-15(7-5-13)25-26-18-11-14(23)10-16(20(18)27)22(28)29-2/h3-11,25H,1-2H3/b26-18+