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

Systemtic Name: dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-(3-cyclohexyl-1-oxopropyl)-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(3-cyclohexylpropanoyl)-2,2-dimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C27H31NO5S3 MolecularWeight: 545.73374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CCC4CCCCC4)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)CCC4CCCCC4)C

InChI

InChI=1S/C27H31NO5S3/c1-27(2)23(34)20(26-35-21(24(30)32-3)22(36-26)25(31)33-4)17-12-8-9-13-18(17)28(27)19(29)15-14-16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14-15H2,1-4H3