2-[2-azanyl-5-[(4-fluorophenyl)methyl]phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid

Systemtic Name: 2-[2-azanyl-5-[(4-fluorophenyl)methyl]phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-[(4-fluorophenyl)methyl]phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-[(4-fluorophenyl)methyl]phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-[(4-fluorophenyl)methyl]phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(4-fluorobenzyl)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C23H20FNO4S MolecularWeight: 425.472603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)CC3=CC=C(C=C3)F)N)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=S)C(C2=C(C=CC(=C2)CC3=CC=C(C=C3)F)N)(C(=O)O)O

InChI

InChI=1S/C23H20FNO4S/c1-29-18-9-5-16(6-10-18)21(30)23(28,22(26)27)19-13-15(4-11-20(19)25)12-14-2-7-17(24)8-3-14/h2-11,13,28H,12,25H2,1H3,(H,26,27)