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

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S/c1-3-11(2)17-14(19)10-21-16(20)9-8-15-18-12-6-4-5-7-13(12)22-15/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)/t11-/m0/s1