ethyl 2-(1-butanoyl-2,2,6,7-tetramethyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-(1-butanoyl-2,2,6,7-tetramethyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-(1-butanoyl-2,2,6,7-tetramethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 5-phenyl-2-[2,2,6,7-tetramethyl-1-(1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(1-butanoyl-2,2,6,7-tetramethyl-3-sulfanylidenequinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-butyryl-2,2,6,7-tetramethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C29H31NO3S3 MolecularWeight: 537.75634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO3S3/c1-7-12-22(31)30-21-16-18(4)17(3)15-20(21)23(26(34)29(30,5)6)28-35-24(19-13-10-9-11-14-19)25(36-28)27(32)33-8-2/h9-11,13-16H,7-8,12H2,1-6H3