(2S)-3-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2S)-3-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoate Openeye Name: (2S)-3-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butyrate Formula: C14H18NO3S- MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C14H19NO3S/c1-8(2)12(14(17)18)15-13(16)11-7-9-5-3-4-6-10(9)19-11/h7-8,12H,3-6H2,1-2H3,(H,15,16)(H,17,18)/p-1/t12-/m0/s1