3-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate

Systemtic Name: 3-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)propanoate Openeye Name: 3-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]propanoate IUPAC Name: 3-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)propanoate Traditional Name: 3-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c14-11(15)5-6-13-12(16)10-7-8-3-1-2-4-9(8)17-10/h7H,1-6H2,(H,13,16)(H,14,15)/p-1