methyl 2-[(4-propan-2-ylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(4-propan-2-ylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(4-isopropylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[oxo-(4-propan-2-ylsulfonylphenyl)methyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-propan-2-ylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-isopropylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H18N2O5S2 MolecularWeight: 418.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N2O5S2/c1-11(2)28(24,25)14-7-4-12(5-8-14)17(22)21-19-20-15-9-6-13(18(23)26-3)10-16(15)27-19/h4-11H,1-3H3,(H,20,21,22)