[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H19NO6S MolecularWeight: 389.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C19H19NO6S/c1-11(18(21)20-12-4-7-15-17(8-12)25-10-24-15)26-19(22)14-6-5-13(27-3)9-16(14)23-2/h4-9,11H,10H2,1-3H3,(H,20,21)