O4-tert-butyl O2-ethyl 5-[(4-cyanophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O4-tert-butyl O2-ethyl 5-[(4-cyanophenyl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O4-tert-butyl O2-ethyl 5-[(4-cyanobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-cyanophenyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester IUPAC Name: 4-O-tert-butyl 2-O-ethyl 5-[(4-cyanobenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-cyanobenzoyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O4-tert-butyl ester O2-ethyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-6-27-20(26)16-12(2)15(19(25)28-21(3,4)5)18(29-16)23-17(24)14-9-7-13(11-22)8-10-14/h7-10H,6H2,1-5H3,(H,23,24)