[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-keto-ethyl] ester Formula: C19H18BrNO5S MolecularWeight: 452.31892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNC(=O)COC(=O)CSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrNO5S/c20-13-5-7-15(8-6-13)27-12-19(23)25-11-18(22)21-9-14-10-24-16-3-1-2-4-17(16)26-14/h1-8,14H,9-12H2,(H,21,22)