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

Systemtic Name: 3-(2-azanyl-4,5-dimethyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: 3-(2-amino-4,5-dimethyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(2-amino-4,5-dimethylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-(2-amino-4,5-dimethylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(2-amino-4,5-dimethyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1C)SC(C2=CC=C(C=C2)OC)C(C(=O)O)O)N

InChI

InChI=1S/C18H21NO4S/c1-10-8-14(19)15(9-11(10)2)24-17(16(20)18(21)22)12-4-6-13(23-3)7-5-12/h4-9,16-17,20H,19H2,1-3H3,(H,21,22)