[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: 3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OCC(=O)NC(C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O6S/c1-11(13-3-5-16-17(8-13)29-10-28-16)22-19(24)9-27-21(26)14-4-6-18-15(7-14)23-20(25)12(2)30-18/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)(H,23,25)