ethyl 2-[2-(4-chlorophenyl)sulfonylethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)sulfonylethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chlorophenyl)sulfonyl-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H15ClN2O5S2 MolecularWeight: 438.9051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5S2/c1-2-26-17(23)11-3-8-14-15(9-11)27-18(20-14)21-16(22)10-28(24,25)13-6-4-12(19)5-7-13/h3-9H,2,10H2,1H3,(H,20,21,22)