[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H14N2O3S MolecularWeight: 362.40176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C20H14N2O3S/c23-17(15-9-5-11-21-15)12-25-20(24)14-7-2-1-6-13(14)19-22-16-8-3-4-10-18(16)26-19/h1-11,21H,12H2