dimethyl 5-azanyl-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(3-oxo-4H-1,4-benzothiazine-6-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(3-keto-4H-1,4-benzothiazine-6-carbonyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O7S2 MolecularWeight: 436.45884

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)OC)N

InChI

InChI=1S/C18H16N2O7S2/c1-25-17(23)13-9(14(18(24)26-2)29-15(13)19)6-27-16(22)8-3-4-11-10(5-8)20-12(21)7-28-11/h3-5H,6-7,19H2,1-2H3,(H,20,21)