methyl 4-[2-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1,1-bis(oxidanylidene)-2,3-dihydrothiophen-3-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]benzoate CAS Name: 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(1,1-diketo-2,3-dihydrothiophen-3-yl)acetyl]amino]benzoic acid methyl ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2CS(=O)(=O)C=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2CS(=O)(=O)C=C2

InChI

InChI=1S/C14H15NO5S/c1-20-14(17)11-2-4-12(5-3-11)15-13(16)8-10-6-7-21(18,19)9-10/h2-7,10H,8-9H2,1H3,(H,15,16)