ethyl 2-[1-(4-tert-butylphenyl)carbonyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-[1-(4-tert-butylphenyl)carbonyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[1-[(4-tert-butylphenyl)-oxomethyl]-6-ethoxy-2,2-dimethyl-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-[1-(4-tert-butylbenzoyl)-6-ethoxy-2,2-dimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C36H37NO4S3 MolecularWeight: 643.87828

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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=C(C=C5)C(C)(C)C

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=C(C=C5)C(C)(C)C

InChI

InChI=1S/C36H37NO4S3/c1-8-40-25-19-20-27-26(21-25)28(34-43-29(22-13-11-10-12-14-22)30(44-34)33(39)41-9-2)31(42)36(6,7)37(27)32(38)23-15-17-24(18-16-23)35(3,4)5/h10-21H,8-9H2,1-7H3