[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-4H-1,4-benzothiazine-6-carboxylic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)C1=CC2=C(C=C1)SCC(=O)N2)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C1=CC2=C(C=C1)SCC(=O)N2)N

InChI

InChI=1S/C15H13N3O4S/c1-8(17)10(5-16)12(19)6-22-15(21)9-2-3-13-11(4-9)18-14(20)7-23-13/h2-4,10H,1,6-7,17H2,(H,18,20)/t10-/m1/s1