ethyl 4-cyano-3-methyl-5-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(E)-3-(1-methyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[(E)-3-(1-methylpyrazol-4-yl)acryloyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CN(N=C2)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)/C=C/C2=CN(N=C2)C)C#N)C

InChI

InChI=1S/C16H16N4O3S/c1-4-23-16(22)14-10(2)12(7-17)15(24-14)19-13(21)6-5-11-8-18-20(3)9-11/h5-6,8-9H,4H2,1-3H3,(H,19,21)/b6-5+