4-methylsulfanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)butyric acid Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(S1)CCCC2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC2=C(S1)CCCC2

InChI

InChI=1S/C14H19NO3S2/c1-19-7-6-10(14(17)18)15-13(16)12-8-9-4-2-3-5-11(9)20-12/h8,10H,2-7H2,1H3,(H,15,16)(H,17,18)