[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

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