[(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [(2S)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [(1S)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [(1S)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-11(16(22)20-17(23)18-2)24-15(21)10-6-5-9-14-19-12-7-3-4-8-13(12)25-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,18,20,22,23)/t11-/m0/s1