[(4-methylsulfanylphenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid

Systemtic Name: [(4-methylsulfanylphenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid Openeye Name: [(4-methylsulfanylphenyl)-(2-thienylmethylamino)methyl]phosphonic acid CAS Name: [[4-(methylthio)phenyl]-(thiophen-2-ylmethylamino)methyl]phosphonic acid IUPAC Name: [(4-methylsulfanylphenyl)-(thiophen-2-ylmethylamino)methyl]phosphonic acid Traditional Name: [[4-(methylthio)phenyl]-(2-thenylamino)methyl]phosphonic acid Formula: C13H16NO3PS2 MolecularWeight: 329.374801

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(NCC2=CC=CS2)P(=O)(O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(NCC2=CC=CS2)P(=O)(O)O

InChI

InChI=1S/C13H16NO3PS2/c1-19-11-6-4-10(5-7-11)13(18(15,16)17)14-9-12-3-2-8-20-12/h2-8,13-14H,9H2,1H3,(H2,15,16,17)