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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(5-methyl-1,3-dioxo-isoindolin-2-yl)propanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-(1,3-diketo-5-methyl-isoindolin-2-yl)propanoyloxymethyl]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)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)C

InChI

InChI=1S/C21H19N3O6S/c1-3-29-21(28)17-15(14(9-22)18(23)31-17)10-30-16(25)6-7-24-19(26)12-5-4-11(2)8-13(12)20(24)27/h4-5,8H,3,6-7,10,23H2,1-2H3