ethyl 5-[2-(4-aminophenyl)carbonyloxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-aminophenyl)carbonyloxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[2-(4-aminobenzoyl)oxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(4-aminophenyl)-oxomethoxy]-1-oxobutyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-aminobenzoyl)oxybutanoylamino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[2-(4-aminobenzoyl)oxybutanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC=C(C=C2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)OC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C20H21N3O5S/c1-4-15(28-19(25)12-6-8-13(22)9-7-12)17(24)23-18-14(10-21)11(3)16(29-18)20(26)27-5-2/h6-9,15H,4-5,22H2,1-3H3,(H,23,24)