methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-methylsulfonylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-methylsulfonylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-mesylbenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H14N2O5S2 MolecularWeight: 390.43346

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C17H14N2O5S2/c1-24-16(21)11-6-7-13-14(9-11)25-17(18-13)19-15(20)10-4-3-5-12(8-10)26(2,22)23/h3-9H,1-2H3,(H,18,19,20)