[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC=C(C=C1)SC

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)NC1=CC=C(C=C1)SC

InChI

InChI=1S/C17H24N2O5S/c1-17(2,3)24-16(22)18-10-9-15(21)23-11-14(20)19-12-5-7-13(25-4)8-6-12/h5-8H,9-11H2,1-4H3,(H,18,22)(H,19,20)