methyl 2-[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-5-methyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(1-ethyl-5-methylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C22H26N4O3S/c1-5-26-15(2)17(11-23-26)12-25(3)13-19(27)24-21-20(22(28)29-4)18(14-30-21)16-9-7-6-8-10-16/h6-11,14H,5,12-13H2,1-4H3,(H,24,27)