methyl 2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]thio]acetic acid methyl ester Formula: C14H15NO6S MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSCC(=O)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSCC(=O)OC)OCO2

InChI

InChI=1S/C14H15NO6S/c1-8(16)9-3-11-12(21-7-20-11)4-10(9)15-13(17)5-22-6-14(18)19-2/h3-4H,5-7H2,1-2H3,(H,15,17)