[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-16(2)18-9-7-17(8-10-18)13-14-24-21(26)15-28-23(27)12-11-22-25-19-5-3-4-6-20(19)29-22/h3-10,16H,11-15H2,1-2H3,(H,24,26)