4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxo-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-1-[[4-(methylthio)anilino]-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-1-[(4-methylsulfanylphenyl)carbamoyl]-4-oxoazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-4-keto-1-[[4-(methylthio)phenyl]carbamoyl]azetidin-2-yl]oxybenzoic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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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)O)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-4-22(5-2)19(27)24(21(28)23-15-8-12-17(30-3)13-9-15)20(22)29-16-10-6-14(7-11-16)18(25)26/h6-13,20H,4-5H2,1-3H3,(H,23,28)(H,25,26)