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

Systemtic Name: dimethyl 2-[2,2,6-trimethyl-1-(3-phenylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2,6-trimethyl-1-(3-phenylpropanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-(1-oxo-3-phenylpropyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2,6-trimethyl-1-(3-phenylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-hydrocinnamoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H27NO5S3 MolecularWeight: 553.71268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H27NO5S3/c1-16-11-13-19-18(15-16)21(27-36-22(25(31)33-4)23(37-27)26(32)34-5)24(35)28(2,3)29(19)20(30)14-12-17-9-7-6-8-10-17/h6-11,13,15H,12,14H2,1-5H3