methyl 3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]propionic acid methyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SCCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SCCC(=O)OC

InChI

InChI=1S/C14H17NO5S/c1-9(21-6-5-13(16)18-2)14(17)15-10-3-4-11-12(7-10)20-8-19-11/h3-4,7,9H,5-6,8H2,1-2H3,(H,15,17)