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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-1-oxo-3-(1,3,5-trimethyl-4-pyrazolyl)prop-2-enyl]amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1,3,5-trimethylpyrazol-4-yl)acryloyl]amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)C(=CC2=C(N(N=C2C)C)C)C#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)/C(=C/C2=C(N(N=C2C)C)C)/C#N)C(=O)OC

InChI

InChI=1S/C19H22N4O3S/c1-6-7-14-9-16(19(25)26-5)18(27-14)21-17(24)13(10-20)8-15-11(2)22-23(4)12(15)3/h8-9H,6-7H2,1-5H3,(H,21,24)/b13-8+