dimethyl 2-(2,6-diphenylthian-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Systemtic Name: dimethyl 2-(2,6-diphenylthian-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Openeye Name: dimethyl 2-(2,6-diphenyltetrahydrothiopyran-4-ylidene)-1,3-dithiole-4,5-dicarboxylate CAS Name: 2-(2,6-diphenyl-4-thianylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(2,6-diphenylthian-4-ylidene)-1,3-dithiole-4,5-dicarboxylate Traditional Name: 2-(2,6-diphenyltetrahydrothiopyran-4-ylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester Formula: C24H22O4S3 MolecularWeight: 470.62408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C2CC(SC(C2)C3=CC=CC=C3)C4=CC=CC=C4)S1)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(SC(=C2CC(SC(C2)C3=CC=CC=C3)C4=CC=CC=C4)S1)C(=O)OC

InChI

InChI=1S/C24H22O4S3/c1-27-22(25)20-21(23(26)28-2)31-24(30-20)17-13-18(15-9-5-3-6-10-15)29-19(14-17)16-11-7-4-8-12-16/h3-12,18-19H,13-14H2,1-2H3