N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)ethanamide

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-(4-nitrophenyl)acetamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5S2/c1-26-8-9-27-12-28-19-21-16-7-4-14(11-17(16)29-19)20-18(23)10-13-2-5-15(6-3-13)22(24)25/h2-7,11H,8-10,12H2,1H3,(H,20,23)