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

Systemtic Name: N-[(S)-(2,4-dichlorophenyl)-diethoxyphosphoryl-methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[(S)-(2,4-dichlorophenyl)-diethoxyphosphoryl-methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[(S)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[(S)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [(S)-(2,4-dichlorophenyl)-diethoxyphosphoryl-methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C19H21Cl2N2O3PS MolecularWeight: 459.326401

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C1=C(C=C(C=C1)Cl)Cl)NC2=NC3=C(S2)C=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)([C@@H](C1=C(C=C(C=C1)Cl)Cl)NC2=NC3=C(S2)C=C(C=C3)C)OCC

InChI

InChI=1S/C19H21Cl2N2O3PS/c1-4-25-27(24,26-5-2)18(14-8-7-13(20)11-15(14)21)23-19-22-16-9-6-12(3)10-17(16)28-19/h6-11,18H,4-5H2,1-3H3,(H,22,23)/t18-/m0/s1