[2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C19H16ClNO3S MolecularWeight: 373.85324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C19H16ClNO3S/c20-14-7-2-1-6-13(14)16(22)12-24-19(23)11-5-10-18-21-15-8-3-4-9-17(15)25-18/h1-4,6-9H,5,10-12H2