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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] pyrazine-2-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C15H14N2O3S2 MolecularWeight: 334.41326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=NC=CN=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=NC=CN=C3

InChI

InChI=1S/C15H14N2O3S2/c1-19-13-8-10(15-21-6-7-22-15)2-3-12(13)20-14(18)11-9-16-4-5-17-11/h2-5,8-9,15H,6-7H2,1H3