(4-methoxycarbonylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (4-methoxycarbonylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (4-methoxycarbonylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-methoxycarbonylphenyl)methyl ester IUPAC Name: (4-methoxycarbonylphenyl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (4-carbomethoxybenzyl) ester Formula: C23H17NO4S MolecularWeight: 403.45038

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C23H17NO4S/c1-27-22(25)17-12-10-16(11-13-17)15-28-23(26)19-7-3-5-9-21(19)29-20-8-4-2-6-18(20)14-24/h2-13H,15H2,1H3