dimethyl 5,5,6,6-tetracyano-4,7-bis(4-methylphenyl)-4a,7-dihydro-4H-thiochromene-2,3-dicarboxylate

Systemtic Name: dimethyl 5,5,6,6-tetracyano-4,7-bis(4-methylphenyl)-4a,7-dihydro-4H-thiochromene-2,3-dicarboxylate Openeye Name: dimethyl 5,5,6,6-tetracyano-4,7-bis(p-tolyl)-4a,7-dihydro-4H-thiochromene-2,3-dicarboxylate CAS Name: 5,5,6,6-tetracyano-4,7-bis(4-methylphenyl)-4a,7-dihydro-4H-1-benzothiopyran-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5,5,6,6-tetracyano-4,7-bis(4-methylphenyl)-4a,7-dihydro-4H-thiochromene-2,3-dicarboxylate Traditional Name: 5,5,6,6-tetracyano-4,7-bis(p-tolyl)-4a,7-dihydro-4H-thiochromene-2,3-dicarboxylic acid dimethyl ester Formula: C31H24N4O4S MolecularWeight: 548.61166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C=C3C(C(C(=C(S3)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)C)C(C2(C#N)C#N)(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2C=C3C(C(C(=C(S3)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)C)C(C2(C#N)C#N)(C#N)C#N

InChI

InChI=1S/C31H24N4O4S/c1-18-5-9-20(10-6-18)22-13-23-26(31(16-34,17-35)30(22,14-32)15-33)24(21-11-7-19(2)8-12-21)25(28(36)38-3)27(40-23)29(37)39-4/h5-13,22,24,26H,1-4H3