dimethyl 2-[2,2,6-trimethyl-1-(phenylmethyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[2,2,6-trimethyl-1-(phenylmethyl)-3-sulfanylidene-quinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(1-benzyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-[2,2,6-trimethyl-1-(phenylmethyl)-3-sulfanylidene-4-quinolinylidene]-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(1-benzyl-2,2,6-trimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(1-benzyl-2,2,6-trimethyl-3-thioxo-4-quinolylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C26H25NO4S3 MolecularWeight: 511.676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(C(=S)C2=C3SC(=C(S3)C(=O)OC)C(=O)OC)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C26H25NO4S3/c1-15-11-12-18-17(13-15)19(25-33-20(23(28)30-4)21(34-25)24(29)31-5)22(32)26(2,3)27(18)14-16-9-7-6-8-10-16/h6-13H,14H2,1-5H3