ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-1-(4-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-1-(4-methylphenyl)carbonyl-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylate CAS Name: (2Z)-5-phenyl-2-[2,2,6-trimethyl-1-[(4-methylphenyl)-oxomethyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-5-phenyl-2-[2,2,6-trimethyl-1-(4-methylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4-carboxylate Traditional Name: (2Z)-5-phenyl-2-(2,2,6-trimethyl-1-p-toluoyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C32H29NO3S3 MolecularWeight: 571.77256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=C(C=C4)C)S1)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C/2\C3=C(C=CC(=C3)C)N(C(C2=S)(C)C)C(=O)C4=CC=C(C=C4)C)/S1)C5=CC=CC=C5

InChI

InChI=1S/C32H29NO3S3/c1-6-36-30(35)27-26(21-10-8-7-9-11-21)38-31(39-27)25-23-18-20(3)14-17-24(23)33(32(4,5)28(25)37)29(34)22-15-12-19(2)13-16-22/h7-18H,6H2,1-5H3/b31-25-