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

Systemtic Name: ethyl 5-azanyl-3-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[4-(1,3-dioxoisoindolin-2-yl)butanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(1,3-dioxo-2-isoindolyl)-1-oxobutoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[4-(1,3-dioxoisoindol-2-yl)butanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-(4-phthalimidobutanoyloxymethyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H19N3O6S/c1-2-29-21(28)17-15(14(10-22)18(23)31-17)11-30-16(25)8-5-9-24-19(26)12-6-3-4-7-13(12)20(24)27/h3-4,6-7H,2,5,8-9,11,23H2,1H3