dimethyl 2-(2,2-dimethyl-1-naphthalen-2-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2,2-dimethyl-1-naphthalen-2-ylcarbonyl-3-sulfanylidene-quinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-[2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2-dimethyl-1-[2-naphthalenyl(oxo)methyl]-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-dimethyl-1-(naphthalene-2-carbonyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-[2,2-dimethyl-1-(2-naphthoyl)-3-thioxo-4-quinolylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C29H23NO5S3 MolecularWeight: 561.69162

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C29H23NO5S3/c1-29(2)24(36)21(28-37-22(26(32)34-3)23(38-28)27(33)35-4)19-11-7-8-12-20(19)30(29)25(31)18-14-13-16-9-5-6-10-17(16)15-18/h5-15H,1-4H3