2-acetamido-3-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxidanylidene-propyl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxidanylidene-propyl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[3-(2-furyl)-3-oxo-1-(p-tolyl)propyl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[3-(2-furanyl)-1-(4-methylphenyl)-3-oxopropyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[3-(furan-2-yl)-1-(4-methylphenyl)-3-oxopropyl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[[3-(2-furyl)-3-keto-1-(p-tolyl)propyl]thio]propionic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)C2=CC=CO2)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)C2=CC=CO2)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C19H21NO5S/c1-12-5-7-14(8-6-12)18(10-16(22)17-4-3-9-25-17)26-11-15(19(23)24)20-13(2)21/h3-9,15,18H,10-11H2,1-2H3,(H,20,21)(H,23,24)