methyl 2-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoylamino]benzoate

Systemtic Name: methyl 2-[3-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoylamino]benzoate Openeye Name: methyl 2-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoylamino]benzoate CAS Name: 2-[[1-oxo-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoylamino]benzoate Traditional Name: 2-[3-[(3-keto-4H-1,4-benzoxazin-6-yl)sulfonyl]propanoylamino]benzoic acid methyl ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C19H18N2O7S/c1-27-19(24)13-4-2-3-5-14(13)20-17(22)8-9-29(25,26)12-6-7-16-15(10-12)21-18(23)11-28-16/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H,21,23)