methyl 3-(6-sulfamoyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: methyl 3-(6-sulfamoyl-2-thiophen-2-ylcarbonylimino-1,3-benzothiazol-3-yl)propanoate Openeye Name: methyl 3-[6-sulfamoyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo(thiophen-2-yl)methyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[6-sulfamoyl-2-(thiophene-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[6-sulfamoyl-2-(2-thenoylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H15N3O5S3 MolecularWeight: 425.5024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H15N3O5S3/c1-24-14(20)6-7-19-11-5-4-10(27(17,22)23)9-13(11)26-16(19)18-15(21)12-3-2-8-25-12/h2-5,8-9H,6-7H2,1H3,(H2,17,22,23)