butyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: butyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: butyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]benzoic acid butyl ester IUPAC Name: butyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]benzoic acid butyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H21NO5S/c1-2-3-10-24-20(23)15-6-4-5-7-18(15)27-12-19(22)21-14-8-9-16-17(11-14)26-13-25-16/h4-9,11H,2-3,10,12-13H2,1H3,(H,21,22)