1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]azocan-2-one

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]azocan-2-one Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]azocan-2-one CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-azocanone IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]azocan-2-one Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]azocan-2-one Formula: C23H27N2O3PS MolecularWeight: 442.510841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCCC4=O

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCCC4=O

InChI

InChI=1S/C23H27N2O3PS/c1-2-28-29(27,25-16-8-4-3-5-11-22(25)26)17-18-12-14-19(15-13-18)23-24-20-9-6-7-10-21(20)30-23/h6-7,9-10,12-15H,2-5,8,11,16-17H2,1H3