3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(2-azanyl-5-methyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-amino-5-methyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(2-amino-5-methylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(2-amino-5-methylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(2-amino-5-methyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)N)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O

InChI

InChI=1S/C17H19NO4S/c1-10-3-8-13(18)14(9-10)23-16(15(19)17(20)21)11-4-6-12(22-2)7-5-11/h3-9,15-16,19H,18H2,1-2H3,(H,20,21)