ethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(1-butanoyl-2,2,7-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 5-phenyl-2-[2,2,7-trimethyl-1-(1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-butanoyl-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-butyryl-2,2,7-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C28H29NO3S3 MolecularWeight: 523.72976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C

Isomeric SMILES

CCCC(=O)N1C2=C(C=CC(=C2)C)C(=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)C(=S)C1(C)C

InChI

InChI=1S/C28H29NO3S3/c1-6-11-21(30)29-20-16-17(3)14-15-19(20)22(25(33)28(29,4)5)27-34-23(18-12-9-8-10-13-18)24(35-27)26(31)32-7-2/h8-10,12-16H,6-7,11H2,1-5H3