(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H16BrNO5S MolecularWeight: 426.28164

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCNC(=O)C3=CC=CS3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H16BrNO5S/c18-12-9-14-13(22-5-6-23-14)8-11(12)10-24-16(20)3-4-19-17(21)15-2-1-7-25-15/h1-2,7-9H,3-6,10H2,(H,19,21)