[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1S)-2-(isopropylamino)-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 [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4S/c1-11(2)18-17(22)12(3)23-16(21)8-9-19-13-6-4-5-7-14(13)24-10-15(19)20/h4-7,11-12H,8-10H2,1-3H3,(H,18,22)/t12-/m0/s1