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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]azepan-2-one Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]azepan-2-one CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-azepanone IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]azepan-2-one Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]azepan-2-one Formula: C22H25N2O3PS MolecularWeight: 428.484261

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCC4=O

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCCC4=O

InChI

InChI=1S/C22H25N2O3PS/c1-2-27-28(26,24-15-7-3-4-10-21(24)25)16-17-11-13-18(14-12-17)22-23-19-8-5-6-9-20(19)29-22/h5-6,8-9,11-14H,2-4,7,10,15-16H2,1H3