[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-(1-bromanylnaphthalen-2-yl)sulfanylethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-[(1-bromo-2-naphthyl)sulfanyl]acetate CAS Name: 2-[(1-bromo-2-naphthalenyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-(1-bromonaphthalen-2-yl)sulfanylacetate Traditional Name: 2-[(1-bromo-2-naphthyl)thio]acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C22H18BrNO5S MolecularWeight: 488.35102

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CSC3=C(C4=CC=CC=C4C=C3)Br

InChI

InChI=1S/C22H18BrNO5S/c23-22-16-4-2-1-3-14(16)5-8-19(22)30-13-21(26)29-12-20(25)24-15-6-7-17-18(11-15)28-10-9-27-17/h1-8,11H,9-10,12-13H2,(H,24,25)