ethyl 2-(1,1-dimethyl-3-sulfanylidene-2H-isoquinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-(1,1-dimethyl-3-sulfanylidene-2H-isoquinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(1,1-dimethyl-3-thioxo-2H-isoquinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-(1,1-dimethyl-3-sulfanylidene-2H-isoquinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1,1-dimethyl-3-sulfanylidene-2H-isoquinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1,1-dimethyl-3-thioxo-2H-isoquinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C23H21NO2S3 MolecularWeight: 439.61334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3C(NC2=S)(C)C)S1)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3C(NC2=S)(C)C)S1)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO2S3/c1-4-26-21(25)19-18(14-10-6-5-7-11-14)28-22(29-19)17-15-12-8-9-13-16(15)23(2,3)24-20(17)27/h5-13H,4H2,1-3H3,(H,24,27)