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

Systemtic Name: dimethyl 2-[1-(4-iodophenyl)carbonyl-7-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(4-iodophenyl)-oxomethyl]-7-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(4-iodobenzoyl)-7-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H22INO6S3 MolecularWeight: 667.55545

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)I)C=C(C=C3)OC)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=C(C=C4)I)C=C(C=C3)OC)C

InChI

InChI=1S/C26H22INO6S3/c1-26(2)21(35)18(25-36-19(23(30)33-4)20(37-25)24(31)34-5)16-11-10-15(32-3)12-17(16)28(26)22(29)13-6-8-14(27)9-7-13/h6-12H,1-5H3