(2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbonylamino)butanoate Openeye Name: (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-4-(methylthio)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)butyrate Formula: C15H20NO3S2- MolecularWeight: 326.4542

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C1=CC2=C(S1)CCCCC2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)C1=CC2=C(S1)CCCCC2

InChI

InChI=1S/C15H21NO3S2/c1-20-8-7-11(15(18)19)16-14(17)13-9-10-5-3-2-4-6-12(10)21-13/h9,11H,2-8H2,1H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1