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

Systemtic Name: ethyl 2-[1-(3-methoxyphenyl)carbonyl-2,2,6-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[1-(3-methoxybenzoyl)-2,2,6-trimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[1-[(3-methoxyphenyl)-oxomethyl]-2,2,6-trimethyl-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(3-methoxybenzoyl)-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(1-m-anisoyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C32H29NO4S3 MolecularWeight: 587.77196

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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(=CC=C4)OC)S1)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C32H29NO4S3/c1-6-37-30(35)27-26(20-11-8-7-9-12-20)39-31(40-27)25-23-17-19(2)15-16-24(23)33(32(3,4)28(25)38)29(34)21-13-10-14-22(18-21)36-5/h7-18H,6H2,1-5H3