methyl 3-(1,3-benzodioxol-5-ylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylsulfanyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: 3-(1,3-benzodioxol-5-ylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylsulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(1,3-benzodioxol-5-ylthio)-2-(tert-butoxycarbonylamino)propionic acid methyl ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1=CC2=C(C=C1)OCO2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1=CC2=C(C=C1)OCO2)C(=O)OC

InChI

InChI=1S/C16H21NO6S/c1-16(2,3)23-15(19)17-11(14(18)20-4)8-24-10-5-6-12-13(7-10)22-9-21-12/h5-7,11H,8-9H2,1-4H3,(H,17,19)