methyl 3-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[4-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[4-(5-bromo-1,3-dioxo-isoindolin-2-yl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]thiophene-2-carboxylate Traditional Name: 3-[4-(5-bromo-1,3-diketo-isoindolin-2-yl)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C18H15BrN2O5S/c1-26-18(25)15-13(6-8-27-15)20-14(22)3-2-7-21-16(23)11-5-4-10(19)9-12(11)17(21)24/h4-6,8-9H,2-3,7H2,1H3,(H,20,22)