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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC1=CC=CC=C1SC

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC1=CC=CC=C1SC

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)25-17(23)19-11-7-10-16(22)24-12-15(21)20-13-8-5-6-9-14(13)26-4/h5-6,8-9H,7,10-12H2,1-4H3,(H,19,23)(H,20,21)