methyl 4-aminocarbonyl-2-[1-(methylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-(3-methylsulfanylpropyl)benzoate

Systemtic Name: methyl 4-aminocarbonyl-2-[1-(methylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-3-(3-methylsulfanylpropyl)benzoate Openeye Name: methyl 2-[2-tert-butoxy-1-(methylamino)-2-oxo-ethyl]-4-carbamoyl-3-(3-methylsulfanylpropyl)benzoate CAS Name: 4-carbamoyl-2-[1-(methylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-[3-(methylthio)propyl]benzoic acid methyl ester IUPAC Name: methyl 4-carbamoyl-2-[1-(methylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-(3-methylsulfanylpropyl)benzoate Traditional Name: 2-[2-tert-butoxy-2-keto-1-(methylamino)ethyl]-4-carbamoyl-3-[3-(methylthio)propyl]benzoic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=CC(=C1CCCSC)C(=O)N)C(=O)OC)NC

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=CC(=C1CCCSC)C(=O)N)C(=O)OC)NC

InChI

InChI=1S/C20H30N2O5S/c1-20(2,3)27-19(25)16(22-4)15-12(8-7-11-28-6)13(17(21)23)9-10-14(15)18(24)26-5/h9-10,16,22H,7-8,11H2,1-6H3,(H2,21,23)