diethyl 3-methyl-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N5O5S/c1-4-29-19(27)15-12(3)16(20(28)30-5-2)31-18(15)21-14(26)11-25-23-17(22-24-25)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3,(H,21,26)