methyl 2-[2-(phenylsulfonyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(phenylsulfonyl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(benzenesulfonyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(benzenesulfonyl)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(benzenesulfonyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-besylacetyl)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)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S2/c1-24-16(21)11-7-8-13-14(9-11)25-17(18-13)19-15(20)10-26(22,23)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,19,20)