[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C19H18ClNO5S/c1-11(26-19(23)14-8-13(27-2)4-5-15(14)20)18(22)21-9-12-3-6-16-17(7-12)25-10-24-16/h3-8,11H,9-10H2,1-2H3,(H,21,22)