dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(2S)-2-methylbutanoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(2S)-2-methylbutanoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(2S)-2-methylbutanoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[6-ethoxy-2,2-dimethyl-1-[(2S)-2-methyl-1-oxobutyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[6-ethoxy-2,2-dimethyl-1-[(2S)-2-methylbutanoyl]-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[6-ethoxy-2,2-dimethyl-1-[(2S)-2-methylbutanoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C25H29NO6S3 MolecularWeight: 535.69586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)C(=O)N1C2=C(C=C(C=C2)OCC)C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

InChI

InChI=1S/C25H29NO6S3/c1-8-13(3)21(27)26-16-11-10-14(32-9-2)12-15(16)17(20(33)25(26,4)5)24-34-18(22(28)30-6)19(35-24)23(29)31-7/h10-13H,8-9H2,1-7H3/t13-/m0/s1