[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C15H14ClN3O3S MolecularWeight: 351.80796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=NC=CN=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=NC=CN=C2)Cl

InChI

InChI=1S/C15H14ClN3O3S/c16-11-1-3-12(4-2-11)23-8-7-19-14(20)10-22-15(21)13-9-17-5-6-18-13/h1-6,9H,7-8,10H2,(H,19,20)