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

Systemtic Name: dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-(3-cyclohexyl-1-oxopropyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H33NO6S3 MolecularWeight: 575.75972

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CCC4CCCCC4)C=CC(=C3)OC)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)CCC4CCCCC4)C=CC(=C3)OC)C

InChI

InChI=1S/C28H33NO6S3/c1-28(2)24(36)21(27-37-22(25(31)34-4)23(38-27)26(32)35-5)18-15-17(33-3)12-13-19(18)29(28)20(30)14-11-16-9-7-6-8-10-16/h12-13,15-16H,6-11,14H2,1-5H3