tert-butyl N-(2-azanyl-3-methylsulfanyl-propanoyl)-N-[1,3-benzodioxol-5-yl(methyl)amino]carbamate

Systemtic Name: tert-butyl N-(2-azanyl-3-methylsulfanyl-propanoyl)-N-[1,3-benzodioxol-5-yl(methyl)amino]carbamate Openeye Name: tert-butyl N-(2-amino-3-methylsulfanyl-propanoyl)-N-[1,3-benzodioxol-5-yl(methyl)amino]carbamate CAS Name: N-[2-amino-3-(methylthio)-1-oxopropyl]-N-[1,3-benzodioxol-5-yl(methyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(2-amino-3-methylsulfanylpropanoyl)-N-[1,3-benzodioxol-5-yl(methyl)amino]carbamate Traditional Name: N-[2-amino-3-(methylthio)propanoyl]-N-[1,3-benzodioxol-5-yl(methyl)amino]carbamic acid tert-butyl ester Formula: C17H25N3O5S MolecularWeight: 383.4625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C(=O)C(CSC)N)N(C)C1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)(C)OC(=O)N(C(=O)C(CSC)N)N(C)C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C17H25N3O5S/c1-17(2,3)25-16(22)20(15(21)12(18)9-26-5)19(4)11-6-7-13-14(8-11)24-10-23-13/h6-8,12H,9-10,18H2,1-5H3