3-(2-azanyl-5-chloranyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: 3-(2-azanyl-5-chloranyl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: 3-(2-amino-5-chloro-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 3-[(2-amino-5-chlorophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoate IUPAC Name: 3-(2-amino-5-chlorophenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 3-[(2-amino-5-chloro-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionate Formula: C16H15ClNO4S- MolecularWeight: 352.8126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)[O-])O)SC2=C(C=CC(=C2)Cl)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C(C(=O)[O-])O)SC2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C16H16ClNO4S/c1-22-11-5-2-9(3-6-11)15(14(19)16(20)21)23-13-8-10(17)4-7-12(13)18/h2-8,14-15,19H,18H2,1H3,(H,20,21)/p-1