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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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