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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]prop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-2-cyanoprop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)-2-cyano-acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C29H26N4O3S MolecularWeight: 510.60674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N4O3S/c1-19(2)25-15-24(29(35)36-3)28(37-25)31-27(34)22(16-30)14-23-18-33(17-20-10-6-4-7-11-20)32-26(23)21-12-8-5-9-13-21/h4-15,18-19H,17H2,1-3H3,(H,31,34)/b22-14+