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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H22N2O3S/c1-12(18(22)19-13-10-11-13)23-17(21)9-5-4-8-16-20-14-6-2-3-7-15(14)24-16/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,19,22)/t12-/m1/s1