(3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-pentanoate

Systemtic Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-pentanoate Openeye Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-pentanoate CAS Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanoate IUPAC Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methylpentanoate Traditional Name: (3S)-3-(1,3-benzothiazol-2-ylmethyl)-3-methyl-valerate Formula: C14H16NO2S- MolecularWeight: 262.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC1=NC2=CC=CC=C2S1)CC(=O)[O-]

Isomeric SMILES

CC[C@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)[O-]

InChI

InChI=1S/C14H17NO2S/c1-3-14(2,9-13(16)17)8-12-15-10-6-4-5-7-11(10)18-12/h4-7H,3,8-9H2,1-2H3,(H,16,17)/p-1/t14-/m1/s1