1,3-benzothiazol-2-ylmethyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO2S/c1-12(2)18(13-7-9-14(20)10-8-13)19(22)23-11-17-21-15-5-3-4-6-16(15)24-17/h3-10,12,18H,11H2,1-2H3/t18-/m1/s1