[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C21H17NO5S MolecularWeight: 395.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17NO5S/c23-20(22-16-6-8-18-19(10-16)27-13-26-18)11-25-21(24)12-28-17-7-5-14-3-1-2-4-15(14)9-17/h1-10H,11-13H2,(H,22,23)