3-[1,3-bis(oxidanylidene)-5-(2-thiophen-2-ylethanoylamino)isoindol-2-yl]propanoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)-5-(2-thiophen-2-ylethanoylamino)isoindol-2-yl]propanoic acid Openeye Name: 3-[1,3-dioxo-5-[[2-(2-thienyl)acetyl]amino]isoindolin-2-yl]propanoic acid CAS Name: 3-[1,3-dioxo-5-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-isoindolyl]propanoic acid IUPAC Name: 3-[1,3-dioxo-5-[(2-thiophen-2-ylacetyl)amino]isoindol-2-yl]propanoic acid Traditional Name: 3-[1,3-diketo-5-[[2-(2-thienyl)acetyl]amino]isoindolin-2-yl]propionic acid Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CC(=O)NC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)O

InChI

InChI=1S/C17H14N2O5S/c20-14(9-11-2-1-7-25-11)18-10-3-4-12-13(8-10)17(24)19(16(12)23)6-5-15(21)22/h1-4,7-8H,5-6,9H2,(H,18,20)(H,21,22)