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

Systemtic Name: [2-oxidanylidene-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] pyrazine-2-carboxylate Openeye Name: [2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] pyrazine-2-carboxylate CAS Name: 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] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl] ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O3S/c25-20(13-27-21(26)16-12-22-10-11-23-16)24-17-8-4-5-9-19(17)28-14-18(24)15-6-2-1-3-7-15/h1-12,18H,13-14H2/t18-/m1/s1