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

Systemtic Name: methyl 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[methyl-[(1-methyl-4-pyrazolyl)methyl]amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C=N1)CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N4O3S/c1-23(10-14-9-21-24(2)11-14)12-17(25)22-19-18(20(26)27-3)16(13-28-19)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3,(H,22,25)