1,3-benzothiazol-2-ylmethyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-13(2)18(23-20(25)21-14-8-4-3-5-9-14)19(24)26-12-17-22-15-10-6-7-11-16(15)27-17/h3-11,13,18H,12H2,1-2H3,(H2,21,23,25)/t18-/m1/s1