2-[(3-methoxy-4-oxidanyl-phenyl)-phenylazanyl-methyl]sulfanylethanoic acid

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)-phenylazanyl-methyl]sulfanylethanoic acid Openeye Name: 2-[anilino-(4-hydroxy-3-methoxy-phenyl)methyl]sulfanylacetic acid CAS Name: 2-[[anilino-(4-hydroxy-3-methoxyphenyl)methyl]thio]acetic acid IUPAC Name: 2-[anilino-(4-hydroxy-3-methoxyphenyl)methyl]sulfanylacetic acid Traditional Name: 2-[[anilino-(4-hydroxy-3-methoxy-phenyl)methyl]thio]acetic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(NC2=CC=CC=C2)SCC(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(NC2=CC=CC=C2)SCC(=O)O)O

InChI

InChI=1S/C16H17NO4S/c1-21-14-9-11(7-8-13(14)18)16(22-10-15(19)20)17-12-5-3-2-4-6-12/h2-9,16-18H,10H2,1H3,(H,19,20)