[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CSC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCNC(=O)C2=CSC=C2)Br

InChI

InChI=1S/C17H16BrNO5S/c1-23-15-3-2-11(8-13(15)18)14(20)9-24-16(21)4-6-19-17(22)12-5-7-25-10-12/h2-3,5,7-8,10H,4,6,9H2,1H3,(H,19,22)