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

Systemtic Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4-carboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-(3-methyl-1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4-carboxylate Traditional Name: 2-(6-ethoxy-1-isovaleryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C24H29NO4S3 MolecularWeight: 491.68636

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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)(C)C)C(=O)CC(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC=C(S3)C(=O)OCC)(C)C)C(=O)CC(C)C

InChI

InChI=1S/C24H29NO4S3/c1-7-28-15-9-10-17-16(12-15)20(23-31-13-18(32-23)22(27)29-8-2)21(30)24(5,6)25(17)19(26)11-14(3)4/h9-10,12-14H,7-8,11H2,1-6H3