[(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(1S)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C2=NC=CN=C2N

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CS1)OC(=O)C2=NC=CN=C2N

InChI

InChI=1S/C13H14N4O3S/c1-8(12(18)17-7-9-3-2-6-21-9)20-13(19)10-11(14)16-5-4-15-10/h2-6,8H,7H2,1H3,(H2,14,16)(H,17,18)/t8-/m0/s1