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

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17ClN2O5S2 MolecularWeight: 452.93168

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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)C3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O5S2/c1-2-27-18(24)12-3-8-15-16(11-12)28-19(21-15)22-17(23)9-10-29(25,26)14-6-4-13(20)5-7-14/h3-8,11H,2,9-10H2,1H3,(H,21,22,23)