[(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: [(3S)-4-azanyl-3-cyano-2-oxidanylidene-pent-4-enyl] 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [(3S)-4-amino-3-cyano-2-oxo-pent-4-enyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] ester IUPAC Name: [(3S)-4-amino-3-cyano-2-oxopent-4-enyl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [(3S)-4-amino-3-cyano-2-keto-pent-4-enyl] ester Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C(C#N)C(=O)COC(=O)CC1C(=O)NC2=CC=CC=C2S1)N

Isomeric SMILES

C=C([C@@H](C#N)C(=O)COC(=O)C[C@H]1C(=O)NC2=CC=CC=C2S1)N

InChI

InChI=1S/C16H15N3O4S/c1-9(18)10(7-17)12(20)8-23-15(21)6-14-16(22)19-11-4-2-3-5-13(11)24-14/h2-5,10,14H,1,6,8,18H2,(H,19,22)/t10-,14+/m1/s1