[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C18H15NO3S/c1-2-12-3-5-13(6-4-12)16(20)10-22-18(21)14-7-8-15-17(9-14)23-11-19-15/h3-9,11H,2,10H2,1H3