dimethyl 2-[1-(2-iodanylphenyl)carbonyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-(2-iodanylphenyl)carbonyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(2-iodobenzoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(2-iodophenyl)-oxomethyl]-2,2,7-trimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(2-iodobenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(2-iodobenzoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H22INO5S3 MolecularWeight: 651.55605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4I)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2C(=O)C4=CC=CC=C4I)(C)C

InChI

InChI=1S/C26H22INO5S3/c1-13-10-11-15-17(12-13)28(22(29)14-8-6-7-9-16(14)27)26(2,3)21(34)18(15)25-35-19(23(30)32-4)20(36-25)24(31)33-5/h6-12H,1-5H3