3-(2-azanylnaphthalen-1-yl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-azanylnaphthalen-1-yl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-[(2-amino-1-naphthyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(2-amino-1-naphthalenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(2-aminonaphthalen-1-yl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(2-amino-1-naphthyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC3=CC=CC=C32)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC3=CC=CC=C32)N

InChI

InChI=1S/C20H19NO4S/c1-25-14-9-6-13(7-10-14)18(17(22)20(23)24)26-19-15-5-3-2-4-12(15)8-11-16(19)21/h2-11,17-18,22H,21H2,1H3,(H,23,24)