ethyl (2E)-2-[6-methoxy-2,2-dimethyl-1-(2-phenoxyethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl (2E)-2-[6-methoxy-2,2-dimethyl-1-(2-phenoxyethanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl (2E)-2-[6-methoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: (2E)-2-[6-methoxy-2,2-dimethyl-1-(1-oxo-2-phenoxyethyl)-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[6-methoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: (2E)-2-[6-methoxy-2,2-dimethyl-1-(2-phenoxyacetyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C32H29NO5S3 MolecularWeight: 603.77136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C2C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)COC4=CC=CC=C4)S1)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\2/C3=C(C=CC(=C3)OC)N(C(C2=S)(C)C)C(=O)COC4=CC=CC=C4)/S1)C5=CC=CC=C5

InChI

InChI=1S/C32H29NO5S3/c1-5-37-30(35)28-27(20-12-8-6-9-13-20)40-31(41-28)26-23-18-22(36-4)16-17-24(23)33(32(2,3)29(26)39)25(34)19-38-21-14-10-7-11-15-21/h6-18H,5,19H2,1-4H3/b31-26+