ethyl 2-[2,2,6-trimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-[2,2,6-trimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[2,2,6-trimethyl-1-(2-propylpentanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylate CAS Name: 2-[2,2,6-trimethyl-1-(1-oxo-2-propylpentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2,2,6-trimethyl-1-(2-propylpentanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4-carboxylate Traditional Name: 2-[2,2,6-trimethyl-1-(2-propylpentanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C26H33NO3S3 MolecularWeight: 503.74012

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)N1C2=C(C=C(C=C2)C)C(=C3SC=C(S3)C(=O)OCC)C(=S)C1(C)C

Isomeric SMILES

CCCC(CCC)C(=O)N1C2=C(C=C(C=C2)C)C(=C3SC=C(S3)C(=O)OCC)C(=S)C1(C)C

InChI

InChI=1S/C26H33NO3S3/c1-7-10-17(11-8-2)23(28)27-19-13-12-16(4)14-18(19)21(22(31)26(27,5)6)25-32-15-20(33-25)24(29)30-9-3/h12-15,17H,7-11H2,1-6H3