[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H21N3O4S/c1-22-21(27)24-20(26)19(14-8-3-2-4-9-14)28-18(25)13-7-12-17-23-15-10-5-6-11-16(15)29-17/h2-6,8-11,19H,7,12-13H2,1H3,(H2,22,24,26,27)/t19-/m0/s1