2-acetamido-3-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-[1-(4-ethoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-acetamido-3-[1-(4-ethoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2,5-diketo-1-p-phenetyl-pyrrolidin-3-yl)thio]propionic acid Formula: C17H20N2O6S MolecularWeight: 380.4155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C17H20N2O6S/c1-3-25-12-6-4-11(5-7-12)19-15(21)8-14(16(19)22)26-9-13(17(23)24)18-10(2)20/h4-7,13-14H,3,8-9H2,1-2H3,(H,18,20)(H,23,24)