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

Systemtic Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-(1-oxo-2-phenylethyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[6-methoxy-2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-methoxy-2,2-dimethyl-1-(2-phenylacetyl)-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)CC4=CC=CC=C4)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)CC4=CC=CC=C4)S1)C(=O)OCC

InChI

InChI=1S/C29H29NO6S3/c1-6-35-26(32)23-24(27(33)36-7-2)39-28(38-23)22-19-16-18(34-5)13-14-20(19)30(29(3,4)25(22)37)21(31)15-17-11-9-8-10-12-17/h8-14,16H,6-7,15H2,1-5H3