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

Systemtic Name: dimethyl 2-[2,2-dimethyl-1-[(2R)-2-methylbutanoyl]-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2-dimethyl-1-[(2R)-2-methylbutanoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-[(2R)-2-methyl-1-oxobutyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-dimethyl-1-[(2R)-2-methylbutanoyl]-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-[(2R)-2-methylbutanoyl]-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C23H25NO5S3 MolecularWeight: 491.6433

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

Isomeric SMILES

CC[C@@H](C)C(=O)N1C2=CC=CC=C2C(=C3SC(=C(S3)C(=O)OC)C(=O)OC)C(=S)C1(C)C

InChI

InChI=1S/C23H25NO5S3/c1-7-12(2)19(25)24-14-11-9-8-10-13(14)15(18(30)23(24,3)4)22-31-16(20(26)28-5)17(32-22)21(27)29-6/h8-12H,7H2,1-6H3/t12-/m1/s1