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

Systemtic Name: ethyl 2-[2-(4-methylphenyl)carbonylimino-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(4-methylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(4-methylphenyl)-oxomethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methylbenzoyl)imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(2-p-toluoylimino-6-sulfamoyl-1,3-benzothiazol-3-yl)acetic acid ethyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H19N3O5S2/c1-3-27-17(23)11-22-15-9-8-14(29(20,25)26)10-16(15)28-19(22)21-18(24)13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3,(H2,20,25,26)