4-[[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl]amino]butyric acid Formula: C12H17ClN2O3S MolecularWeight: 304.79298

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)C(=O)CNCCCC(=O)O

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)C(=O)CNCCCC(=O)O

InChI

InChI=1S/C12H17ClN2O3S/c1-15(8-9-4-5-10(13)19-9)11(16)7-14-6-2-3-12(17)18/h4-5,14H,2-3,6-8H2,1H3,(H,17,18)