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

Systemtic Name: diethyl 5-azanyl-3-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C20H20N2O7S2 MolecularWeight: 464.512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C(=O)OCC)N

InChI

InChI=1S/C20H20N2O7S2/c1-3-27-19(25)15-11(16(31-17(15)21)20(26)28-4-2)8-29-18(24)10-5-6-13-12(7-10)22-14(23)9-30-13/h5-7H,3-4,8-9,21H2,1-2H3,(H,22,23)