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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H24N2O3S/c1-16(17-9-3-2-4-10-17)23-20(25)15-27-22(26)14-8-7-13-21-24-18-11-5-6-12-19(18)28-21/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,23,25)/t16-/m1/s1