N'-[4-[1-(5-methoxy-2-oxidanyl-phenyl)carbonylazetidin-3-yl]oxyphenyl]thiophene-2-carboximidamide

Systemtic Name: N'-[4-[1-(5-methoxy-2-oxidanyl-phenyl)carbonylazetidin-3-yl]oxyphenyl]thiophene-2-carboximidamide Openeye Name: N'-[4-[1-(2-hydroxy-5-methoxy-benzoyl)azetidin-3-yl]oxyphenyl]thiophene-2-carboxamidine CAS Name: N'-[4-[[1-[(2-hydroxy-5-methoxyphenyl)-oxomethyl]-3-azetidinyl]oxy]phenyl]-2-thiophenecarboximidamide IUPAC Name: N'-[4-[1-(2-hydroxy-5-methoxybenzoyl)azetidin-3-yl]oxyphenyl]thiophene-2-carboximidamide Traditional Name: N'-[4-[1-(2-hydroxy-5-methoxy-benzoyl)azetidin-3-yl]oxyphenyl]thiophene-2-carboxamidine Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)N2CC(C2)OC3=CC=C(C=C3)N=C(C4=CC=CS4)N

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)N2CC(C2)OC3=CC=C(C=C3)N=C(C4=CC=CS4)N

InChI

InChI=1S/C22H21N3O4S/c1-28-16-8-9-19(26)18(11-16)22(27)25-12-17(13-25)29-15-6-4-14(5-7-15)24-21(23)20-3-2-10-30-20/h2-11,17,26H,12-13H2,1H3,(H2,23,24)