[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-cyanobenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-cyanobenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H15NO3S2 MolecularWeight: 357.4466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H15NO3S2/c1-21-16-10-14(18-23-7-8-24-18)5-6-15(16)22-17(20)13-4-2-3-12(9-13)11-19/h2-6,9-10,18H,7-8H2,1H3