2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylcarbonylamino)ethanoylamino]ethanoic acid Openeye Name: 2-[[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)acetyl]amino]acetic acid CAS Name: 2-[[1-oxo-2-[[oxo(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]amino]ethyl]amino]acetic acid IUPAC Name: 2-[[2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)acetyl]amino]acetic acid Traditional Name: 2-[[2-(4,5,6,7-tetrahydrobenzothiophene-2-carbonylamino)acetyl]amino]acetic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)NCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCC(=O)NCC(=O)O

InChI

InChI=1S/C13H16N2O4S/c16-11(14-7-12(17)18)6-15-13(19)10-5-8-3-1-2-4-9(8)20-10/h5H,1-4,6-7H2,(H,14,16)(H,15,19)(H,17,18)