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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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