ethyl 5-azanyl-4-cyano-3-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[2-(1-methylidene-3-oxidanylidene-isoindol-2-yl)ethanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-(1-methylene-3-oxo-isoindolin-2-yl)acetyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[2-(1-methylene-3-oxo-2-isoindolyl)-1-oxoethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-(1-keto-3-methylene-isoindolin-2-yl)acetyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2C(=C)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CN2C(=C)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17N3O5S/c1-3-27-20(26)17-15(14(8-21)18(22)29-17)10-28-16(24)9-23-11(2)12-6-4-5-7-13(12)19(23)25/h4-7H,2-3,9-10,22H2,1H3