(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H13NO5S MolecularWeight: 391.39662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H13NO5S/c23-17(18-6-3-11-28-18)12-27-21(26)13-7-9-14(10-8-13)22-19(24)15-4-1-2-5-16(15)20(22)25/h1-11H,12H2