ethyl 2-(6-ethoxy-3,3-dimethyl-4-sulfanylidene-2H-isoquinolin-1-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-(6-ethoxy-3,3-dimethyl-4-sulfanylidene-2H-isoquinolin-1-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(6-ethoxy-3,3-dimethyl-4-thioxo-2H-isoquinolin-1-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-(6-ethoxy-3,3-dimethyl-4-sulfanylidene-2H-isoquinolin-1-ylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(6-ethoxy-3,3-dimethyl-4-sulfanylidene-2H-isoquinolin-1-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(6-ethoxy-3,3-dimethyl-4-thioxo-2H-isoquinolin-1-ylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C25H25NO3S3 MolecularWeight: 483.6659

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)NC(C2=S)(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)NC(C2=S)(C)C

InChI

InChI=1S/C25H25NO3S3/c1-5-28-16-12-13-17-18(14-16)22(30)25(3,4)26-19(17)24-31-20(15-10-8-7-9-11-15)21(32-24)23(27)29-6-2/h7-14,26H,5-6H2,1-4H3