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

Systemtic Name: (2S,3S)-3-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)pentanoate Openeye Name: (2S,3S)-3-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)pentanoate CAS Name: (2S,3S)-3-methyl-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)pentanoate Traditional Name: (2S,3S)-3-methyl-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)valerate Formula: C15H20NO3S- MolecularWeight: 294.3892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3S/c1-3-9(2)13(15(18)19)16-14(17)12-8-10-6-4-5-7-11(10)20-12/h8-9,13H,3-7H2,1-2H3,(H,16,17)(H,18,19)/p-1/t9-,13-/m0/s1