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

Systemtic Name: ethyl 2-[2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN(C)CC3=CN(N=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN(C)CC3=CN(N=C3)C

InChI

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