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

Systemtic Name: methyl 3-[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C15H17NO6S MolecularWeight: 339.36358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO6S/c1-9(17)10-5-12-13(22-8-21-12)6-11(10)16-14(18)7-23-4-3-15(19)20-2/h5-6H,3-4,7-8H2,1-2H3,(H,16,18)