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

Systemtic Name: ethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylate CAS Name: 2-[6-methoxy-2,2-dimethyl-1-(1-oxo-2-propylpentyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4-carboxylate Traditional Name: 2-[6-methoxy-2,2-dimethyl-1-(2-propylpentanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C26H33NO4S3 MolecularWeight: 519.73952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO4S3/c1-7-10-16(11-8-2)23(28)27-19-13-12-17(30-6)14-18(19)21(22(32)26(27,4)5)25-33-15-20(34-25)24(29)31-9-3/h12-16H,7-11H2,1-6H3