N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [(S)-diethoxyphosphoryl-(4-nitrophenyl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C19H22N3O5PS MolecularWeight: 435.433841

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)([C@@H](C1=CC=C(C=C1)[N+](=O)[O-])NC2=NC3=C(S2)C=C(C=C3)C)OCC

InChI

InChI=1S/C19H22N3O5PS/c1-4-26-28(25,27-5-2)18(14-7-9-15(10-8-14)22(23)24)21-19-20-16-11-6-13(3)12-17(16)29-19/h6-12,18H,4-5H2,1-3H3,(H,20,21)/t18-/m0/s1