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

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(thiophen-2-ylcarbonylamino)ethanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(thiophene-2-carbonylamino)acetate CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]acetic 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 2-(thiophene-2-carbonylamino)acetate Traditional Name: 2-(2-thenoylamino)acetic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C16H14BrNO5S MolecularWeight: 412.25506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO5S/c17-11-7-13-12(21-3-4-22-13)6-10(11)9-23-15(19)8-18-16(20)14-2-1-5-24-14/h1-2,5-7H,3-4,8-9H2,(H,18,20)