dimethyl 2-[1-(ethylcarbamoyl)-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[1-(ethylcarbamoyl)-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[1-(ethylcarbamoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[1-(ethylcarbamoyl)-2,2,7-trimethyl-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(ethylcarbamoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[1-(ethylcarbamoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C22H24N2O5S3 MolecularWeight: 492.63136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

Isomeric SMILES

CCNC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

InChI

InChI=1S/C22H24N2O5S3/c1-7-23-21(27)24-13-10-11(2)8-9-12(13)14(17(30)22(24,3)4)20-31-15(18(25)28-5)16(32-20)19(26)29-6/h8-10H,7H2,1-6H3,(H,23,27)