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

Systemtic Name: [(2R)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1R)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2R)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(ethylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1R)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCNC(=O)[C@@H](C)OC(=O)CCCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H22N2O3S/c1-3-18-17(21)12(2)22-16(20)11-7-6-10-15-19-13-8-4-5-9-14(13)23-15/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,21)/t12-/m1/s1