[2-oxidanylidene-2-(phenethylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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