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

Systemtic Name: ethyl 2-[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1-ethyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1-ethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl 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)OCC

Isomeric SMILES

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

InChI

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