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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1S)-2-(isobutylamino)-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-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-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 [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4S/c1-12(2)10-19-18(23)13(3)24-17(22)8-9-20-14-6-4-5-7-15(14)25-11-16(20)21/h4-7,12-13H,8-11H2,1-3H3,(H,19,23)/t13-/m0/s1