methyl 5-[[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: methyl 5-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 5-[[(E)-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C24H20N4O3S MolecularWeight: 444.5056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(S1)NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O3S/c1-31-24(30)20-10-12-22(32-20)26-21(29)11-9-19-16-28(15-17-6-3-2-4-7-17)27-23(19)18-8-5-13-25-14-18/h2-14,16H,15H2,1H3,(H,26,29)/b11-9+