methyl 5-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[3-(1-methylidene-3-oxidanylidene-isoindol-2-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[3-(1-methylene-3-oxo-isoindolin-2-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 5-[[3-(1-methylene-3-oxo-2-isoindolyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(1-methylidene-3-oxoisoindol-2-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 5-[3-(1-keto-3-methylene-isoindolin-2-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)CCN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H16N2O4S/c1-11-12-5-3-4-6-13(12)17(22)20(11)10-9-15(21)19-16-8-7-14(25-16)18(23)24-2/h3-8H,1,9-10H2,2H3,(H,19,21)