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

Systemtic Name: dimethyl 2-[8-ethoxy-1-(4-methoxyphenyl)carbonyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[8-ethoxy-1-(4-methoxybenzoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[8-ethoxy-1-[(4-methoxyphenyl)-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-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(8-ethoxy-2,2-dimethyl-1-p-anisoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H27NO7S3 MolecularWeight: 585.71148

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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)OC

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)OC

InChI

InChI=1S/C28H27NO7S3/c1-7-36-18-10-8-9-17-19(27-38-21(25(31)34-5)22(39-27)26(32)35-6)23(37)28(2,3)29(20(17)18)24(30)15-11-13-16(33-4)14-12-15/h8-14H,7H2,1-6H3