1,3-benzothiazol-2-ylmethyl (2R)-2-phenylbutanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-phenylbutanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[C@H](C1=CC=CC=C1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H17NO2S/c1-2-14(13-8-4-3-5-9-13)18(20)21-12-17-19-15-10-6-7-11-16(15)22-17/h3-11,14H,2,12H2,1H3/t14-/m1/s1