ethyl 5-phenyl-2-(2,2,6-trimethyl-1-propanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 5-phenyl-2-(2,2,6-trimethyl-1-propanoyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4-carboxylate Openeye Name: ethyl 5-phenyl-2-(2,2,6-trimethyl-1-propanoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4-carboxylate CAS Name: 5-phenyl-2-[2,2,6-trimethyl-1-(1-oxopropyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-(2,2,6-trimethyl-1-propanoyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4-carboxylate Traditional Name: 5-phenyl-2-(2,2,6-trimethyl-1-propionyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C27H27NO3S3 MolecularWeight: 509.70318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3S3/c1-6-20(29)28-19-14-13-16(3)15-18(19)21(24(32)27(28,4)5)26-33-22(17-11-9-8-10-12-17)23(34-26)25(30)31-7-2/h8-15H,6-7H2,1-5H3