[(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)OC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-15(21(25)22-16-9-3-2-4-10-16)26-20(24)14-8-7-13-19-23-17-11-5-6-12-18(17)27-19/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,22,25)/t15-/m1/s1