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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c25-20(23-15-7-10-17-8-2-1-3-9-17)16-27-22(26)14-6-13-21-24-18-11-4-5-12-19(18)28-21/h1-5,8-9,11-12H,6-7,10,13-16H2,(H,23,25)