methyl 3-[2-(2-naphthalen-1-ylethanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2-naphthalen-1-ylethanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[2-(1-naphthyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-(1-naphthalenyl)-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-naphthalen-1-ylacetyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-(1-naphthyl)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C23H21N3O5S2 MolecularWeight: 483.55994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O5S2/c1-31-22(28)11-12-26-19-10-9-17(33(24,29)30)14-20(19)32-23(26)25-21(27)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,14H,11-13H2,1H3,(H2,24,29,30)