[3-azanyl-3-methyl-5-[5-[4-(3-methylsulfanylphenoxy)butanoyl]thiophen-2-yl]pentyl]phosphonic acid

Systemtic Name: [3-azanyl-3-methyl-5-[5-[4-(3-methylsulfanylphenoxy)butanoyl]thiophen-2-yl]pentyl]phosphonic acid Openeye Name: [3-amino-3-methyl-5-[5-[4-(3-methylsulfanylphenoxy)butanoyl]-2-thienyl]pentyl]phosphonic acid CAS Name: [3-amino-3-methyl-5-[5-[4-[3-(methylthio)phenoxy]-1-oxobutyl]-2-thiophenyl]pentyl]phosphonic acid IUPAC Name: [3-amino-3-methyl-5-[5-[4-(3-methylsulfanylphenoxy)butanoyl]thiophen-2-yl]pentyl]phosphonic acid Traditional Name: [3-amino-3-methyl-5-[5-[4-[3-(methylthio)phenoxy]butanoyl]-2-thienyl]pentyl]phosphonic acid Formula: C21H30NO5PS2 MolecularWeight: 471.570361

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC(=CC=C2)SC)(CCP(=O)(O)O)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCOC2=CC(=CC=C2)SC)(CCP(=O)(O)O)N

InChI

InChI=1S/C21H30NO5PS2/c1-21(22,12-14-28(24,25)26)11-10-17-8-9-20(30-17)19(23)7-4-13-27-16-5-3-6-18(15-16)29-2/h3,5-6,8-9,15H,4,7,10-14,22H2,1-2H3,(H2,24,25,26)