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

Systemtic Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxylate Openeye Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-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 [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl] (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 [2-(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C2=CC3=C(C=C2)S[C@@H](C(=O)N3)C)C

InChI

InChI=1S/C21H22N2O6S/c1-5-28-21(27)18-10(2)17(11(3)22-18)15(24)9-29-20(26)13-6-7-16-14(8-13)23-19(25)12(4)30-16/h6-8,12,22H,5,9H2,1-4H3,(H,23,25)/t12-/m1/s1