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

Systemtic Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] 5-(furan-2-ylcarbonylamino)thiophene-2-carboxylate Openeye Name: [2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate CAS Name: 5-[[2-furanyl(oxo)methyl]amino]-2-thiophenecarboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate Traditional Name: 5-(2-furoylamino)thiophene-2-carboxylic acid [2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(S2)NC(=O)C3=CC=CO3)SC

InChI

InChI=1S/C21H18N2O6S2/c1-12(24)22-14-10-13(5-6-17(14)30-2)15(25)11-29-21(27)18-7-8-19(31-18)23-20(26)16-4-3-9-28-16/h3-10H,11H2,1-2H3,(H,22,24)(H,23,26)