2-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-[methyl-[(5-methyl-2-furyl)methyl]amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-[methyl-[(5-methyl-2-furanyl)methyl]amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-keto-2-[methyl-[(5-methyl-2-furyl)methyl]amino]ethyl]thio]propionic acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(C)C(=O)CSC(C)C(=O)O

Isomeric SMILES

CC1=CC=C(O1)CN(C)C(=O)CSC(C)C(=O)O

InChI

InChI=1S/C12H17NO4S/c1-8-4-5-10(17-8)6-13(3)11(14)7-18-9(2)12(15)16/h4-5,9H,6-7H2,1-3H3,(H,15,16)