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

Systemtic Name: methyl 3-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-(1-oxo-3-phenylpropyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-phenylpropanoylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-(2-hydrocinnamoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)propionic acid methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O5S2/c1-28-19(25)11-12-23-16-9-8-15(30(21,26)27)13-17(16)29-20(23)22-18(24)10-7-14-5-3-2-4-6-14/h2-6,8-9,13H,7,10-12H2,1H3,(H2,21,26,27)