ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate

Systemtic Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidene-quinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Openeye Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-thioxo-4-quinolylidene]-5-phenyl-1,3-dithiole-4-carboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-(3-methyl-1-oxobutyl)-3-sulfanylidene-4-quinolinylidene]-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-ethoxy-2,2-dimethyl-1-(3-methylbutanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Traditional Name: 2-(6-ethoxy-1-isovaleryl-2,2-dimethyl-3-thioxo-4-quinolylidene)-5-phenyl-1,3-dithiole-4-carboxylic acid ethyl ester Formula: C30H33NO4S3 MolecularWeight: 567.78232

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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)C4=CC=CC=C4)(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)C4=CC=CC=C4)(C)C)C(=O)CC(C)C

InChI

InChI=1S/C30H33NO4S3/c1-7-34-20-14-15-22-21(17-20)24(27(36)30(5,6)31(22)23(32)16-18(3)4)29-37-25(19-12-10-9-11-13-19)26(38-29)28(33)35-8-2/h9-15,17-18H,7-8,16H2,1-6H3