1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O3S2/c1-11(2)16(20-17(21)14-8-5-9-24-14)18(22)23-10-15-19-12-6-3-4-7-13(12)25-15/h3-9,11,16H,10H2,1-2H3,(H,20,21)/t16-/m0/s1