3-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]propanoic acid

Systemtic Name: 3-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]propanoic acid Openeye Name: 3-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]propanoic acid CAS Name: 3-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]propanoic acid IUPAC Name: 3-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]propanoic acid Traditional Name: 3-[[3-(methylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]amino]propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCC2)NCCC(=O)O

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCC2)NCCC(=O)O

InChI

InChI=1S/C13H18N2O3S/c1-14-12(18)11-8-4-2-3-5-9(8)19-13(11)15-7-6-10(16)17/h15H,2-7H2,1H3,(H,14,18)(H,16,17)