[2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=NC=CN=C3N)C4=CC=CC=C4

Isomeric SMILES

C1[C@@H](N(C2=CC=CC=C2S1)C(=O)COC(=O)C3=NC=CN=C3N)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c22-20-19(23-10-11-24-20)21(27)28-12-18(26)25-15-8-4-5-9-17(15)29-13-16(25)14-6-2-1-3-7-14/h1-11,16H,12-13H2,(H2,22,24)/t16-/m1/s1