dimethyl 2-[8-ethoxy-1-(4-iodophenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[8-ethoxy-1-(4-iodophenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[8-ethoxy-1-(4-iodobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[8-ethoxy-1-[(4-iodophenyl)-oxomethyl]-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[8-ethoxy-1-(4-iodobenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[8-ethoxy-1-(4-iodobenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H24INO6S3 MolecularWeight: 681.58203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)I

Isomeric SMILES

CCOC1=CC=CC2=C1N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C27H24INO6S3/c1-6-35-17-9-7-8-16-18(26-37-20(24(31)33-4)21(38-26)25(32)34-5)22(36)27(2,3)29(19(16)17)23(30)14-10-12-15(28)13-11-14/h7-13H,6H2,1-5H3