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

Systemtic Name: 4-[3,3-diethyl-4-oxidanylidene-1-(thiophen-3-ylmethylcarbamoyl)azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-4-oxo-1-(3-thienylmethylcarbamoyl)azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-4-oxo-1-[oxo-(3-thiophenylmethylamino)methyl]-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-4-oxo-1-(thiophen-3-ylmethylcarbamoyl)azetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-4-keto-1-(3-thenylcarbamoyl)azetidin-2-yl]oxybenzoic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=CSC=C2)OC3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCC2=CSC=C2)OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C20H22N2O5S/c1-3-20(4-2)17(25)22(19(26)21-11-13-9-10-28-12-13)18(20)27-15-7-5-14(6-8-15)16(23)24/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,26)(H,23,24)