[(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2R)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate

Systemtic Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2R)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [(1S)-2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate CAS Name: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylic acid [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxylate Traditional Name: (2R)-3-keto-2-methyl-4H-1,4-benzothiazine-6-carboxylic acid [(1S)-2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)O[C@@H](C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C21H22N2O6S/c1-9-16(21(27)28-5)10(2)22-17(9)18(24)11(3)29-20(26)13-6-7-15-14(8-13)23-19(25)12(4)30-15/h6-8,11-12,22H,1-5H3,(H,23,25)/t11-,12+/m0/s1