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

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H18N2O4S/c1-13(23)21-15-8-6-14(7-9-15)17(24)12-26-20(25)11-10-19-22-16-4-2-3-5-18(16)27-19/h2-9H,10-12H2,1H3,(H,21,23)