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

Systemtic Name: ethyl (2E)-2-[6-methoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl (2E)-2-(1-benzoyl-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: (2E)-2-(1-benzoyl-6-methoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-(1-benzoyl-6-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: (2E)-2-(1-benzoyl-6-methoxy-2,2-dimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C31H27NO4S3 MolecularWeight: 573.74538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\2/C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)C4=CC=CC=C4)/S1)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO4S3/c1-5-36-29(34)26-25(19-12-8-6-9-13-19)38-30(39-26)24-22-18-21(35-4)16-17-23(22)32(31(2,3)27(24)37)28(33)20-14-10-7-11-15-20/h6-18H,5H2,1-4H3/b30-24+