3-[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-methoxy-phenyl]benzoic acid

Systemtic Name: 3-[4-[(2-azanyl-3-sulfanyl-propyl)amino]-2-methoxy-phenyl]benzoic acid Openeye Name: 3-[4-[(2-amino-3-sulfanyl-propyl)amino]-2-methoxy-phenyl]benzoic acid CAS Name: 3-[4-[(2-amino-3-mercaptopropyl)amino]-2-methoxyphenyl]benzoic acid IUPAC Name: 3-[4-[(2-amino-3-sulfanylpropyl)amino]-2-methoxyphenyl]benzoic acid Traditional Name: 3-[4-[(2-amino-3-mercapto-propyl)amino]-2-methoxy-phenyl]benzoic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NCC(CS)N)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)NCC(CS)N)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-22-16-8-14(19-9-13(18)10-23)5-6-15(16)11-3-2-4-12(7-11)17(20)21/h2-8,13,19,23H,9-10,18H2,1H3,(H,20,21)