4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(diethoxyphosphorylmethyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H25N2O5PS MolecularWeight: 448.472361

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)C)OCC

Isomeric SMILES

CCOP(=O)(CC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=CC=C3S2)OC)C)OCC

InChI

InChI=1S/C21H25N2O5PS/c1-5-27-29(25,28-6-2)14-15-10-12-16(13-11-15)20(24)22-21-23(3)19-17(26-4)8-7-9-18(19)30-21/h7-13H,5-6,14H2,1-4H3