[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-14(2)15-7-3-4-8-16(15)22-19(24)13-26-21(25)12-11-20-23-17-9-5-6-10-18(17)27-20/h3-10,14H,11-13H2,1-2H3,(H,22,24)