[2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-[[phenyl(2-thienyl)methyl]amino]ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[phenyl(thiophen-2-yl)methyl]amino]ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[[phenyl(2-thienyl)methyl]amino]ethyl] ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C18H16N4O3S/c19-17-16(20-8-9-21-17)18(24)25-11-14(23)22-15(13-7-4-10-26-13)12-5-2-1-3-6-12/h1-10,15H,11H2,(H2,19,21)(H,22,23)