methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1-methylsulfanylethenylamino)phenyl]propanoate

Systemtic Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1-methylsulfanylethenylamino)phenyl]propanoate Openeye Name: methyl 2-(tert-butoxycarbonylamino)-3-[4-(1-methylsulfanylvinylamino)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-[1-(methylthio)ethenylamino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(1-methylsulfanylethenylamino)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-[1-(methylthio)vinylamino]phenyl]propionic acid methyl ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NC(=C)SC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)NC(=C)SC)C(=O)OC

InChI

InChI=1S/C18H26N2O4S/c1-12(25-6)19-14-9-7-13(8-10-14)11-15(16(21)23-5)20-17(22)24-18(2,3)4/h7-10,15,19H,1,11H2,2-6H3,(H,20,22)