methyl 2-[[(E,4S)-2-cyano-4-phenyl-pent-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(E,4S)-2-cyano-4-phenyl-pent-2-enoyl]amino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E,4S)-2-cyano-4-phenyl-pent-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[(E,4S)-2-cyano-1-oxo-4-phenylpent-2-enyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E,4S)-2-cyano-4-phenylpent-2-enoyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[(E,4S)-2-cyano-4-phenyl-pent-2-enoyl]amino]-5-isopropyl-thiophene-3-carboxylic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-13(2)18-11-17(21(25)26-4)20(27-18)23-19(24)16(12-22)10-14(3)15-8-6-5-7-9-15/h5-11,13-14H,1-4H3,(H,23,24)/b16-10+/t14-/m0/s1