diethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-[(3-methylphenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-(3-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(6-methoxy-2,2-dimethyl-1-m-toluoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid diethyl ester Formula: C29H29NO6S3 MolecularWeight: 583.73866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)C)S1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC(=CC=C4)C)S1)C(=O)OCC

InChI

InChI=1S/C29H29NO6S3/c1-7-35-26(32)22-23(27(33)36-8-2)39-28(38-22)21-19-15-18(34-6)12-13-20(19)30(29(4,5)24(21)37)25(31)17-11-9-10-16(3)14-17/h9-15H,7-8H2,1-6H3