ethyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[3-(phenylmethyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylamino)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5S2/c1-2-27-19(24)15-8-9-16-17(12-15)28-20(21-16)22-18(23)10-11-29(25,26)13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,21,22,23)