[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)acetic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)COC(=O)CN1C(=O)CSC2=CC=CC=C21

Isomeric SMILES

CC(C)[C@](C)(C#N)NC(=O)COC(=O)CN1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C18H21N3O4S/c1-12(2)18(3,11-19)20-15(22)9-25-17(24)8-21-13-6-4-5-7-14(13)26-10-16(21)23/h4-7,12H,8-10H2,1-3H3,(H,20,22)/t18-/m0/s1