ethyl 2-(6-ethoxy-2,2-dimethyl-1-naphthalen-1-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-(6-ethoxy-2,2-dimethyl-1-naphthalen-1-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(naphthalene-1-carbonyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-[1-naphthalenyl(oxo)methyl]-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(naphthalene-1-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-[6-ethoxy-2,2-dimethyl-1-(1-naphthoyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C36H31NO4S3 MolecularWeight: 637.83064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OCC)C4=CC=CC=C4)(C)C)C(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C36H31NO4S3/c1-5-40-24-19-20-28-27(21-24)29(35-43-30(23-14-8-7-9-15-23)31(44-35)34(39)41-6-2)32(42)36(3,4)37(28)33(38)26-18-12-16-22-13-10-11-17-25(22)26/h7-21H,5-6H2,1-4H3