[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C18H13Cl2NO3S MolecularWeight: 394.27172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H13Cl2NO3S/c19-11-5-6-12(13(20)9-11)15(22)10-24-18(23)8-7-17-21-14-3-1-2-4-16(14)25-17/h1-6,9H,7-8,10H2