[2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[2-(o-tolyl)ethylamino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[2-(o-tolyl)ethylamino]ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1CCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-16-7-2-3-8-17(16)13-14-23-20(25)15-27-22(26)12-6-11-21-24-18-9-4-5-10-19(18)28-21/h2-5,7-10H,6,11-15H2,1H3,(H,23,25)