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

Systemtic Name: [2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-oxo-2-(p-tolylmethylamino)ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(4-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-keto-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-15-9-11-16(12-10-15)13-22-19(24)14-26-21(25)8-4-7-20-23-17-5-2-3-6-18(17)27-20/h2-3,5-6,9-12H,4,7-8,13-14H2,1H3,(H,22,24)