ethyl (2E)-2-[1-(4-tert-butylphenyl)carbonyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl (2E)-2-[1-(4-tert-butylphenyl)carbonyl-2,2,7-trimethyl-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl (2E)-2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: (2E)-2-[1-[(4-tert-butylphenyl)-oxomethyl]-2,2,7-trimethyl-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2E)-2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: (2E)-2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C35H35NO3S3 MolecularWeight: 613.8523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H35NO3S3/c1-8-39-32(38)29-28(22-12-10-9-11-13-22)41-33(42-29)27-25-19-14-21(2)20-26(25)36(35(6,7)30(27)40)31(37)23-15-17-24(18-16-23)34(3,4)5/h9-20H,8H2,1-7H3/b33-27+