dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(4-methylphenyl)carbamoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(4-methylphenyl)carbamoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-(p-tolylcarbamoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-[(4-methylanilino)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(4-methylphenyl)carbamoyl]-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-ethoxy-2,2-dimethyl-1-(p-tolylcarbamoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H28N2O6S3 MolecularWeight: 584.72672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)NC4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)NC4=CC=C(C=C4)C

InChI

InChI=1S/C28H28N2O6S3/c1-7-36-17-12-13-19-18(14-17)20(26-38-21(24(31)34-5)22(39-26)25(32)35-6)23(37)28(3,4)30(19)27(33)29-16-10-8-15(2)9-11-16/h8-14H,7H2,1-6H3,(H,29,33)