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

Systemtic Name: 3-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 3-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 3-[[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 3-[(5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carbonyl)amino]propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCCC(=O)O

Isomeric SMILES

CCC1CCC2=C(C1)C=C(S2)C(=O)NCCC(=O)O

InChI

InChI=1S/C14H19NO3S/c1-2-9-3-4-11-10(7-9)8-12(19-11)14(18)15-6-5-13(16)17/h8-9H,2-7H2,1H3,(H,15,18)(H,16,17)