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

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 2-(diphenylmethyl)sulfanylethanoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 2-benzhydrylsulfanylacetate CAS Name: 2-[(diphenylmethyl)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-benzhydrylsulfanylacetate Traditional Name: 2-(benzhydrylthio)acetic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)COC(=O)CSC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H23NO5S/c27-23(26-20-11-12-21-22(15-20)30-14-13-29-21)16-31-24(28)17-32-25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15,25H,13-14,16-17H2,(H,26,27)