2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-1,3-thiazepan-3-yl]ethanoic acid

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-1,3-thiazepan-3-yl]ethanoic acid Openeye Name: 2-[5-(1,3-dioxoisoindolin-2-yl)-4-oxo-1,3-thiazepan-3-yl]acetic acid CAS Name: 2-[5-(1,3-dioxo-2-isoindolyl)-4-oxo-1,3-thiazepan-3-yl]acetic acid IUPAC Name: 2-[5-(1,3-dioxoisoindol-2-yl)-4-oxo-1,3-thiazepan-3-yl]acetic acid Traditional Name: 2-(4-keto-5-phthalimido-1,3-thiazepan-3-yl)acetic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCN(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

Isomeric SMILES

C1CSCN(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CC(=O)O

InChI

InChI=1S/C15H14N2O5S/c18-12(19)7-16-8-23-6-5-11(15(16)22)17-13(20)9-3-1-2-4-10(9)14(17)21/h1-4,11H,5-8H2,(H,18,19)