methyl (2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]butanoate CAS Name: (2S)-3-methyl-2-[[5-[(methylthio)methyl]-2-furanyl]methylamino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]butanoate Traditional Name: (2S)-3-methyl-2-[[5-[(methylthio)methyl]-2-furyl]methylamino]butyric acid methyl ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NCC1=CC=C(O1)CSC

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NCC1=CC=C(O1)CSC

InChI

InChI=1S/C13H21NO3S/c1-9(2)12(13(15)16-3)14-7-10-5-6-11(17-10)8-18-4/h5-6,9,12,14H,7-8H2,1-4H3/t12-/m0/s1