ethyl 5-phenyl-2-[2,2,6-trimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2,2,6-trimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(1-benzoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-benzoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C31H27NO3S3 MolecularWeight: 557.74598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)S1)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO3S3/c1-5-35-29(34)26-25(20-12-8-6-9-13-20)37-30(38-26)24-22-18-19(2)16-17-23(22)32(31(3,4)27(24)36)28(33)21-14-10-7-11-15-21/h6-18H,5H2,1-4H3