[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate CAS Name: 5-(cyclopropylsulfamoyl)-2-furancarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 5-(cyclopropylsulfamoyl)furan-2-carboxylate Traditional Name: 5-(cyclopropylsulfamoyl)furan-2-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C19H20N2O7S2 MolecularWeight: 452.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(O2)S(=O)(=O)NC3CC3)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(O2)S(=O)(=O)NC3CC3)SC

InChI

InChI=1S/C19H20N2O7S2/c1-11(22)20-14-9-12(3-7-17(14)29-2)15(23)10-27-19(24)16-6-8-18(28-16)30(25,26)21-13-4-5-13/h3,6-9,13,21H,4-5,10H2,1-2H3,(H,20,22)