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

Systemtic Name: N-[(S)-diethoxyphosphoryl-(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[(S)-diethoxyphosphoryl-(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[(S)-diethoxyphosphoryl-(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[(S)-diethoxyphosphoryl-(2,4-dimethoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [(S)-diethoxyphosphoryl-(2,4-dimethoxyphenyl)methyl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C21H27N2O5PS MolecularWeight: 450.488241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2O5PS/c1-6-27-29(24,28-7-2)20(16-10-9-15(25-4)13-18(16)26-5)23-21-22-17-11-8-14(3)12-19(17)30-21/h8-13,20H,6-7H2,1-5H3,(H,22,23)/t20-/m0/s1