methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-sulfamoyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H14N4O5S3 MolecularWeight: 462.52256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H14N4O5S3/c1-27-16(23)8-22-13-5-3-11(30(19,25)26)7-15(13)29-18(22)21-17(24)10-2-4-12-14(6-10)28-9-20-12/h2-7,9H,8H2,1H3,(H2,19,25,26)