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

Systemtic Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]piperidin-2-one Openeye Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxy-phosphoryl]piperidin-2-one CAS Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-2-piperidinone IUPAC Name: 1-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]piperidin-2-one Traditional Name: 1-[[4-(1,3-benzothiazol-2-yl)benzyl]-ethoxy-phosphoryl]-2-piperidone Formula: C21H23N2O3PS MolecularWeight: 414.457681

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCC4=O

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCCCC4=O

InChI

InChI=1S/C21H23N2O3PS/c1-2-26-27(25,23-14-6-5-9-20(23)24)15-16-10-12-17(13-11-16)21-22-18-7-3-4-8-19(18)28-21/h3-4,7-8,10-13H,2,5-6,9,14-15H2,1H3