[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate CAS Name: 2-(3-oxo-1,4-benzothiazin-4-yl)acetic acid [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(3-oxo-1,4-benzothiazin-4-yl)acetate Traditional Name: 2-(3-keto-1,4-benzothiazin-4-yl)acetic acid [(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CN3C(=O)CSC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)CN3C(=O)CSC4=CC=CC=C43

InChI

InChI=1S/C20H18N2O6S/c1-12(20(25)21-13-6-7-15-16(8-13)27-11-26-15)28-19(24)9-22-14-4-2-3-5-17(14)29-10-18(22)23/h2-8,12H,9-11H2,1H3,(H,21,25)/t12-/m1/s1