3-[4-[1-azanyl-3-(5-chloranylthiophen-2-yl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[1-azanyl-3-(5-chloranylthiophen-2-yl)-1-oxidanylidene-propan-2-yl]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[2-amino-1-[(5-chloro-2-thienyl)methyl]-2-oxo-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[1-amino-3-(5-chloro-2-thiophenyl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[1-amino-3-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[2-amino-1-[(5-chloro-2-thienyl)methyl]-2-keto-ethyl]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C18H23ClNO4PS MolecularWeight: 415.871281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(S2)Cl)C(=O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)C(CC2=CC=C(S2)Cl)C(=O)N)P(=O)(O)O

InChI

InChI=1S/C18H23ClNO4PS/c1-3-18(4-2,25(22,23)24)13-7-5-12(6-8-13)15(17(20)21)11-14-9-10-16(19)26-14/h5-10,15H,3-4,11H2,1-2H3,(H2,20,21)(H2,22,23,24)