dimethyl 2-[1-(4-methoxyphenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-(4-methoxyphenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(4-methoxybenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-[(4-methoxyphenyl)-oxomethyl]-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-methoxybenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,6-trimethyl-1-p-anisoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H25NO6S3 MolecularWeight: 555.6855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(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

CC1=CC2=C(C=C1)N(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/C27H25NO6S3/c1-14-7-12-18-17(13-14)19(26-36-20(24(30)33-5)21(37-26)25(31)34-6)22(35)27(2,3)28(18)23(29)15-8-10-16(32-4)11-9-15/h7-13H,1-6H3