diethyl 3-methyl-5-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-(3-methyl-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-(3-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C18H23N3O5S MolecularWeight: 393.45732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C=CC(=N2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C=CC(=N2)C

InChI

InChI=1S/C18H23N3O5S/c1-6-25-17(23)13-11(4)14(18(24)26-7-2)27-16(13)19-15(22)12(5)21-9-8-10(3)20-21/h8-9,12H,6-7H2,1-5H3,(H,19,22)