methyl 3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-27-21(26)19-17(11-14-28-19)22-20(25)16-9-12-23(13-10-16)18(24)8-7-15-5-3-2-4-6-15/h2-8,11,14,16H,9-10,12-13H2,1H3,(H,22,25)/b8-7+