methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[3-(1,3-benzothiazol-2-yl)propanoylamino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-21-16(20)12(9-10-22-2)17-14(19)7-8-15-18-11-5-3-4-6-13(11)23-15/h3-6,12H,7-10H2,1-2H3,(H,17,19)/t12-/m0/s1