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

Systemtic Name: dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(4-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[8-ethoxy-2,2-dimethyl-1-[(4-methylphenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[8-ethoxy-2,2-dimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(8-ethoxy-2,2-dimethyl-1-p-toluoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H27NO6S3 MolecularWeight: 569.71208

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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)C

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)C

InChI

InChI=1S/C28H27NO6S3/c1-7-35-18-10-8-9-17-19(27-37-21(25(31)33-5)22(38-27)26(32)34-6)23(36)28(3,4)29(20(17)18)24(30)16-13-11-15(2)12-14-16/h8-14H,7H2,1-6H3