dimethyl 5-(6,7-dicyanonaphthalen-2-yl)sulfanylbenzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(6,7-dicyanonaphthalen-2-yl)sulfanylbenzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(6,7-dicyano-2-naphthyl)sulfanyl]benzene-1,3-dicarboxylate CAS Name: 5-[(6,7-dicyano-2-naphthalenyl)thio]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(6,7-dicyanonaphthalen-2-yl)sulfanylbenzene-1,3-dicarboxylate Traditional Name: 5-[(6,7-dicyano-2-naphthyl)thio]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)SC2=CC3=C(C=C2)C=C(C(=C3)C#N)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)SC2=CC3=C(C=C2)C=C(C(=C3)C#N)C#N)C(=O)OC

InChI

InChI=1S/C22H14N2O4S/c1-27-21(25)15-7-16(22(26)28-2)10-20(9-15)29-19-4-3-13-5-17(11-23)18(12-24)6-14(13)8-19/h3-10H,1-2H3