1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-13(2)19(23-20(24)15-9-5-4-8-14(15)3)21(25)26-12-18-22-16-10-6-7-11-17(16)27-18/h4-11,13,19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1