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2-[[ethoxy(propylsulfanyl)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole

2-[[ethoxy(propylsulfanyl)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole

Systemtic Name:2-[[ethoxy(propylsulfanyl)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole
Openeye Name:2-[[ethoxy(propylsulfanyl)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole
CAS Name:2-[[ethoxy-(propylthio)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole
IUPAC Name:2-[[ethoxy(propylsulfanyl)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole
Traditional Name:2-[[ethoxy-(propylthio)phosphoryl]oxy-(2-nitrophenyl)methyl]-1,3-benzothiazole
Formula: C19H21N2O5PS2
MolecularWeight: 452.484201
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Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OCC)OC(C1=CC=CC=C1[N+](=O)[O-])C2=NC3=CC=CC=C3S2


Isomeric SMILES

CCCSP(=O)(OCC)OC(C1=CC=CC=C1[N+](=O)[O-])C2=NC3=CC=CC=C3S2


InChI

InChI=1S/C19H21N2O5PS2/c1-3-13-28-27(24,25-4-2)26-18(14-9-5-7-11-16(14)21(22)23)19-20-15-10-6-8-12-17(15)29-19/h5-12,18H,3-4,13H2,1-2H3


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