methyl 2-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate

Systemtic Name: methyl 2-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Openeye Name: methyl 2-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate CAS Name: 2-[oxo-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate Traditional Name: 2-[(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoic acid methyl ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)N)CC#C

InChI

InChI=1S/C19H15N3O5S2/c1-3-10-22-15-9-8-12(29(20,25)26)11-16(15)28-19(22)21-17(23)13-6-4-5-7-14(13)18(24)27-2/h1,4-9,11H,10H2,2H3,(H2,20,25,26)