O2-tert-butyl O4-ethyl 5-(2-cyanoethanoylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-(2-cyanoethanoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-[(2-cyanoacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[(2-cyano-1-oxoethyl)amino]-3-methylthiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2-cyanoacetyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC(C)(C)C)NC(=O)CC#N

InChI

InChI=1S/C16H20N2O5S/c1-6-22-14(20)11-9(2)12(15(21)23-16(3,4)5)24-13(11)18-10(19)7-8-17/h6-7H2,1-5H3,(H,18,19)