[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C18H16BrNO6S MolecularWeight: 454.29174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CS2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H16BrNO6S/c1-25-14-6-4-11(19)9-12(14)13(21)5-7-17(23)26-10-16(22)20-18(24)15-3-2-8-27-15/h2-4,6,8-9H,5,7,10H2,1H3,(H,20,22,24)