[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)sulfonylpropanoate CAS Name: 3-(4-chlorophenyl)sulfonylpropanoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 3-(4-chlorophenyl)sulfonylpropanoate Traditional Name: 3-(4-chlorophenyl)sulfonylpropionic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C18H15ClN2O5S2 MolecularWeight: 438.9051

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O5S2/c19-12-5-7-13(8-6-12)28(24,25)10-9-17(23)26-11-16(22)21-18-20-14-3-1-2-4-15(14)27-18/h1-8H,9-11H2,(H,20,21,22)