[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)CCN1C(=O)CSC2=CC=CC=C21

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CCN1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C19H25N3O5S/c1-12(17(25)20-18(26)21-19(2,3)4)27-16(24)9-10-22-13-7-5-6-8-14(13)28-11-15(22)23/h5-8,12H,9-11H2,1-4H3,(H2,20,21,25,26)/t12-/m1/s1