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

Systemtic Name: methyl (6E)-2-iodanyl-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-3-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl (6E)-2-iodo-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]-3-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: (6E)-2-iodo-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-3-oxo-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl (6E)-2-iodo-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazinylidene]-3-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: (6E)-2-iodo-3-keto-6-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]hydrazono]cyclohexa-1,4-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(=O)C(=C4C(=O)OC)I

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N/N=C/4\C=CC(=O)C(=C4C(=O)OC)I

InChI

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