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

Systemtic Name: ethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(1-butanoyl-2,2-dimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-butanoyl-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-butyryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C27H27NO3S3 MolecularWeight: 509.70318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C

Isomeric SMILES

CCCC(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C

InChI

InChI=1S/C27H27NO3S3/c1-5-12-20(29)28-19-16-11-10-15-18(19)21(24(32)27(28,3)4)26-33-22(17-13-8-7-9-14-17)23(34-26)25(30)31-6-2/h7-11,13-16H,5-6,12H2,1-4H3