1,3-benzothiazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxy-benzoate CAS Name: 3-(cyclopropylsulfamoyl)-4-methoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(cyclopropylsulfamoyl)-4-methoxybenzoate Traditional Name: 3-(cyclopropylsulfamoyl)-4-methoxy-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)NC4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)S(=O)(=O)NC4CC4

InChI

InChI=1S/C19H18N2O5S2/c1-25-15-9-6-12(10-17(15)28(23,24)21-13-7-8-13)19(22)26-11-18-20-14-4-2-3-5-16(14)27-18/h2-6,9-10,13,21H,7-8,11H2,1H3