methyl 2-[[(E,5S)-2-cyano-5-phenyl-hex-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E,5S)-2-cyano-5-phenyl-hex-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E,5S)-2-cyano-5-phenyl-hex-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E,5S)-2-cyano-1-oxo-5-phenylhex-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E,5S)-2-cyano-5-phenylhex-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E,5S)-2-cyano-5-phenyl-hex-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(S1)NC(=O)C(=CCC(C)C2=CC=CC=C2)C#N)C(=O)OC

Isomeric SMILES

C[C@@H](C/C=C(\C#N)/C(=O)NC1=C(C=C(S1)C(C)C)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O3S/c1-14(2)19-12-18(22(26)27-4)21(28-19)24-20(25)17(13-23)11-10-15(3)16-8-6-5-7-9-16/h5-9,11-12,14-15H,10H2,1-4H3,(H,24,25)/b17-11+/t15-/m0/s1