methyl 2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5S2/c1-26-17(23)11-2-7-14-15(10-11)27-18(20-14)21-16(22)8-9-28(24,25)13-5-3-12(19)4-6-13/h2-7,10H,8-9H2,1H3,(H,20,21,22)