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

Systemtic Name: 2-azanyl-3-[1-(4-ethoxycarbonylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[1-(4-ethoxycarbonylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]propanoic acid IUPAC Name: 2-amino-3-[1-(4-ethoxycarbonylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[1-(4-carbethoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]propionic acid Formula: C16H18N2O6S MolecularWeight: 366.38892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC(C(=O)O)N

InChI

InChI=1S/C16H18N2O6S/c1-2-24-16(23)9-3-5-10(6-4-9)18-13(19)7-12(14(18)20)25-8-11(17)15(21)22/h3-6,11-12H,2,7-8,17H2,1H3,(H,21,22)