3-[[2-[2-(dimethylazaniumyl)ethanoylamino]-4,5-dimethyl-thiophen-3-yl]carbonyl-methyl-amino]propanoate

Systemtic Name: 3-[[2-[2-(dimethylazaniumyl)ethanoylamino]-4,5-dimethyl-thiophen-3-yl]carbonyl-methyl-amino]propanoate Openeye Name: 3-[[2-[[2-(dimethylammonio)acetyl]amino]-4,5-dimethyl-thiophene-3-carbonyl]-methyl-amino]propanoate CAS Name: 3-[[[2-[[2-(dimethylammonio)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenyl]-oxomethyl]-methylamino]propanoate IUPAC Name: 3-[[2-[[2-(dimethylazaniumyl)acetyl]amino]-4,5-dimethylthiophene-3-carbonyl]-methylamino]propanoate Traditional Name: 3-[[2-[[2-(dimethylammonio)acetyl]amino]-4,5-dimethyl-thiophene-3-carbonyl]-methyl-amino]propionate Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N(C)CCC(=O)[O-])NC(=O)C[NH+](C)C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N(C)CCC(=O)[O-])NC(=O)C[NH+](C)C)C

InChI

InChI=1S/C15H23N3O4S/c1-9-10(2)23-14(16-11(19)8-17(3)4)13(9)15(22)18(5)7-6-12(20)21/h6-8H2,1-5H3,(H,16,19)(H,20,21)