dimethyl 2-[2,2-dimethyl-1-(2-phenylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[2,2-dimethyl-1-(2-phenylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2-dimethyl-1-(2-phenylbutanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-(1-oxo-2-phenylbutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-dimethyl-1-(2-phenylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-phenylbutanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C28H27NO5S3 MolecularWeight: 553.71268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C(=C4SC(=C(S4)C(=O)OC)C(=O)OC)C(=S)C2(C)C

InChI

InChI=1S/C28H27NO5S3/c1-6-17(16-12-8-7-9-13-16)24(30)29-19-15-11-10-14-18(19)20(23(35)28(29,2)3)27-36-21(25(31)33-4)22(37-27)26(32)34-5/h7-15,17H,6H2,1-5H3