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

Systemtic Name: methyl 2-[3-(phenylsulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-besylpropanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H16N2O5S2 MolecularWeight: 404.46004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S2/c1-25-17(22)12-7-8-14-15(11-12)26-18(19-14)20-16(21)9-10-27(23,24)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,19,20,21)