(4-methylsulfanylphenyl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2R)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2R)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2R)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thenoylamino)butyric acid [4-(methylthio)benzyl] ester Formula: C18H21NO3S2 MolecularWeight: 363.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H21NO3S2/c1-12(2)16(19-17(20)15-5-4-10-24-15)18(21)22-11-13-6-8-14(23-3)9-7-13/h4-10,12,16H,11H2,1-3H3,(H,19,20)/t16-/m1/s1