methyl 3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(1-phenylpyrazol-4-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O3S/c1-23-17(22)16-14(7-8-24-16)19-15(21)9-12-10-18-20(11-12)13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,19,21)