[2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[1-(o-tolyl)ethylamino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-[1-(o-tolyl)ethylamino]ethyl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C19H18N2O3S/c1-12-5-3-4-6-15(12)13(2)21-18(22)10-24-19(23)14-7-8-16-17(9-14)25-11-20-16/h3-9,11,13H,10H2,1-2H3,(H,21,22)