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

Systemtic Name: methyl 3-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H13BrN2O5S MolecularWeight: 437.26452

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H13BrN2O5S/c1-25-17(24)14-12(5-7-26-14)19-13(21)4-6-20-15(22)10-3-2-9(18)8-11(10)16(20)23/h2-3,5,7-8H,4,6H2,1H3,(H,19,21)