2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(4-ethylphenyl)thiophene-3-carboxylic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-(4-ethylphenyl)thiophene-3-carboxylic acid Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-4-(4-ethylphenyl)thiophene-3-carboxylic acid CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(4-ethylphenyl)-3-thiophenecarboxylic acid IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-4-(4-ethylphenyl)thiophene-3-carboxylic acid Traditional Name: 4-(4-ethylphenyl)-2-phthalimido-3-thenoic acid Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H15NO4S/c1-2-12-7-9-13(10-8-12)16-11-27-20(17(16)21(25)26)22-18(23)14-5-3-4-6-15(14)19(22)24/h3-11H,2H2,1H3,(H,25,26)