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

Systemtic Name: [(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [(1R)-2-(1H-indol-3-yl)-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-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1H-indol-3-yl)-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-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C22H20N2O4S/c1-14(22(27)16-12-23-17-7-3-2-6-15(16)17)28-21(26)10-11-24-18-8-4-5-9-19(18)29-13-20(24)25/h2-9,12,14,23H,10-11,13H2,1H3/t14-/m1/s1