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

Systemtic Name: 2-[2-azanyl-5-(3-methylphenoxy)phenyl]-3-(4-methoxyphenyl)-2-oxidanyl-3-sulfanylidene-propanoic acid Openeye Name: 2-[2-amino-5-(3-methylphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propanoic acid CAS Name: 2-[2-amino-5-(3-methylphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid IUPAC Name: 2-[2-amino-5-(3-methylphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-sulfanylidenepropanoic acid Traditional Name: 2-[2-amino-5-(3-methylphenoxy)phenyl]-2-hydroxy-3-(4-methoxyphenyl)-3-thioxo-propionic acid Formula: C23H21NO5S MolecularWeight: 423.48154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=C(C=C2)N)C(C(=S)C3=CC=C(C=C3)OC)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=C(C=C2)N)C(C(=S)C3=CC=C(C=C3)OC)(C(=O)O)O

InChI

InChI=1S/C23H21NO5S/c1-14-4-3-5-17(12-14)29-18-10-11-20(24)19(13-18)23(27,22(25)26)21(30)15-6-8-16(28-2)9-7-15/h3-13,27H,24H2,1-2H3,(H,25,26)