ethyl 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(1,3-dioxoisoindolin-2-yl)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-(1,3-dioxo-2-isoindolyl)-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(1,3-dioxoisoindol-2-yl)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-phthalimido-thiophene-2-carboxylic acid ethyl ester Formula: C17H12N2O4S MolecularWeight: 340.35318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC=CC=C3C2=O)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC=CC=C3C2=O)C#N)C

InChI

InChI=1S/C17H12N2O4S/c1-3-23-17(22)13-9(2)12(8-18)16(24-13)19-14(20)10-6-4-5-7-11(10)15(19)21/h4-7H,3H2,1-2H3