tert-butyl 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoate

Systemtic Name: tert-butyl 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoate Openeye Name: tert-butyl 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxo-azetidin-2-yl]oxybenzoate CAS Name: 4-[[3,3-diethyl-1-[[4-(methylthio)anilino]-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxoazetidin-2-yl]oxybenzoate Traditional Name: 4-[3,3-diethyl-4-keto-1-[[4-(methylthio)phenyl]carbamoyl]azetidin-2-yl]oxybenzoic acid tert-butyl ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)SC)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NC2=CC=C(C=C2)SC)OC3=CC=C(C=C3)C(=O)OC(C)(C)C)CC

InChI

InChI=1S/C26H32N2O5S/c1-7-26(8-2)22(30)28(24(31)27-18-11-15-20(34-6)16-12-18)23(26)32-19-13-9-17(10-14-19)21(29)33-25(3,4)5/h9-16,23H,7-8H2,1-6H3,(H,27,31)