3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-azanyl-5-phenoxy-phenyl)sulfanyl-3-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-amino-5-phenoxy-phenyl)sulfanyl-3-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-propanoic acid CAS Name: 3-[(2-amino-5-phenoxyphenyl)thio]-3-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoic acid IUPAC Name: 3-(2-amino-5-phenoxyphenyl)sulfanyl-3-(3-fluoro-4-methoxyphenyl)-2-hydroxypropanoic acid Traditional Name: 3-[(2-amino-5-phenoxy-phenyl)thio]-3-(3-fluoro-4-methoxy-phenyl)-2-hydroxy-propionic acid Formula: C22H20FNO5S MolecularWeight: 429.461303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=CC=C3)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3=CC=CC=C3)N)F

InChI

InChI=1S/C22H20FNO5S/c1-28-18-10-7-13(11-16(18)23)21(20(25)22(26)27)30-19-12-15(8-9-17(19)24)29-14-5-3-2-4-6-14/h2-12,20-21,25H,24H2,1H3,(H,26,27)