2-[[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(5-chloro-2-thiophenyl)methyl-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-chloro-2-thienyl)methyl-methyl-amino]-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C13H19ClN2O3S MolecularWeight: 318.81956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC(=O)N(C)CC1=CC=C(S1)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NCC(=O)N(C)CC1=CC=C(S1)Cl

InChI

InChI=1S/C13H19ClN2O3S/c1-8(2)12(13(18)19)15-6-11(17)16(3)7-9-4-5-10(14)20-9/h4-5,8,12,15H,6-7H2,1-3H3,(H,18,19)