dimethyl 2-(2,2,6,7-tetramethyl-1-phenacyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2,2,6,7-tetramethyl-1-phenacyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(2,2,6,7-tetramethyl-1-phenacyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(2,2,6,7-tetramethyl-1-phenacyl-3-sulfanylidene-4-quinolinylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,2,6,7-tetramethyl-1-phenacyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,2,6,7-tetramethyl-1-phenacyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H27NO5S3 MolecularWeight: 553.71268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2CC(=O)C4=CC=CC=C4)(C)C)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C(N2CC(=O)C4=CC=CC=C4)(C)C)C

InChI

InChI=1S/C28H27NO5S3/c1-15-12-18-19(13-16(15)2)29(14-20(30)17-10-8-7-9-11-17)28(3,4)24(35)21(18)27-36-22(25(31)33-5)23(37-27)26(32)34-6/h7-13H,14H2,1-6H3