methyl 2-[2-(4-ethanoylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(4-ethanoylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(4-acetylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-acetylphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-acetylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-acetylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H17N3O6S2 MolecularWeight: 447.48478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC(=O)OC

InChI

InChI=1S/C19H17N3O6S2/c1-11(23)12-3-5-13(6-4-12)18(25)21-19-22(10-17(24)28-2)15-8-7-14(30(20,26)27)9-16(15)29-19/h3-9H,10H2,1-2H3,(H2,20,26,27)