ethyl 5-azanyl-4-cyano-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(tert-butoxycarbonylamino)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(tert-butoxycarbonylamino)benzoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H23N3O6S/c1-5-28-19(26)16-15(14(10-22)17(23)31-16)11-29-18(25)12-6-8-13(9-7-12)24-20(27)30-21(2,3)4/h6-9H,5,11,23H2,1-4H3,(H,24,27)