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

Systemtic Name: 2-methoxyethyl 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO6S/c1-23-8-9-24-19(22)14-4-2-3-5-17(14)27-11-18(21)20-13-6-7-15-16(10-13)26-12-25-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)