3-[[2-[2-(dimethylamino)ethanoylamino]-5-ethyl-thiophen-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[2-[2-(dimethylamino)ethanoylamino]-5-ethyl-thiophen-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[2-[[2-(dimethylamino)acetyl]amino]-5-ethyl-thiophene-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[2-[[2-(dimethylamino)-1-oxoethyl]amino]-5-ethyl-3-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[2-[[2-(dimethylamino)acetyl]amino]-5-ethylthiophene-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[2-[[2-(dimethylamino)acetyl]amino]-5-ethyl-thiophene-3-carbonyl]amino]propionic acid Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN(C)C)C(=O)NCCC(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN(C)C)C(=O)NCCC(=O)O

InChI

InChI=1S/C14H21N3O4S/c1-4-9-7-10(13(21)15-6-5-12(19)20)14(22-9)16-11(18)8-17(2)3/h7H,4-6,8H2,1-3H3,(H,15,21)(H,16,18)(H,19,20)