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

Systemtic Name: methyl 2-[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(1,3-dimethylpyrazol-4-yl)methyl-methyl-amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1CN(C)CC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C21H24N4O3S/c1-14-16(11-25(3)23-14)10-24(2)12-18(26)22-20-19(21(27)28-4)17(13-29-20)15-8-6-5-7-9-15/h5-9,11,13H,10,12H2,1-4H3,(H,22,26)