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

Systemtic Name: ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[2,2-dimethyl-1-(2-methyl-1-oxopropyl)-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-isobutyryl-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:

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

Isomeric SMILES

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

InChI

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