ethyl 2-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCOC(=O)CSC(C)C(=O)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H17NO5S/c1-3-18-13(16)7-21-9(2)14(17)15-10-4-5-11-12(6-10)20-8-19-11/h4-6,9H,3,7-8H2,1-2H3,(H,15,17)