ethyl 2-[[(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1,3-dimethylpyrazol-4-yl)acryloyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=CN(N=C2C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)/C(=C/C2=CN(N=C2C)C)/C#N

InChI

InChI=1S/C19H22N4O3S/c1-6-26-19(25)15-8-16(11(2)3)27-18(15)21-17(24)13(9-20)7-14-10-23(5)22-12(14)4/h7-8,10-11H,6H2,1-5H3,(H,21,24)/b13-7+