ethyl 2-[2,2-dimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-[2,2-dimethyl-1-(2-phenylethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxo-2-phenylethyl)-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2,2-dimethyl-1-(2-phenylacetyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-phenylacetyl)-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=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)S1)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC(=C2C3=CC=CC=C3N(C(C2=S)(C)C)C(=O)CC4=CC=CC=C4)S1)C5=CC=CC=C5

InChI

InChI=1S/C31H27NO3S3/c1-4-35-29(34)27-26(21-15-9-6-10-16-21)37-30(38-27)25-22-17-11-12-18-23(22)32(31(2,3)28(25)36)24(33)19-20-13-7-5-8-14-20/h5-18H,4,19H2,1-3H3