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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=C(C#N)C(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C21H18N4O3S/c1-13-18(14(2)25(24-13)16-7-5-4-6-8-16)11-15(12-22)19(26)23-20-17(9-10-29-20)21(27)28-3/h4-11H,1-3H3,(H,23,26)/b15-11+