ethyl 5-azanyl-4-cyano-3-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[2-[[2-(cyclopropylamino)-2-oxoethyl]thio]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=CC=C2SCC(=O)NC3CC3

InChI

InChI=1S/C21H21N3O5S2/c1-2-28-21(27)18-15(14(9-22)19(23)31-18)10-29-20(26)13-5-3-4-6-16(13)30-11-17(25)24-12-7-8-12/h3-6,12H,2,7-8,10-11,23H2,1H3,(H,24,25)