[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[[(1S)-1,4-dimethylpentyl]amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-[[(1S)-1,4-dimethylpentyl]amino]-2-keto-ethyl] ester Formula: C19H26N2O3S MolecularWeight: 362.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C19H26N2O3S/c1-13(2)8-9-14(3)20-17(22)12-24-19(23)11-10-18-21-15-6-4-5-7-16(15)25-18/h4-7,13-14H,8-12H2,1-3H3,(H,20,22)/t14-/m0/s1