methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonylamino]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]thiazole-5-carboxylate CAS Name: 2-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]amino]-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]thiazole-5-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(S1)NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=C(S1)NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-27-19(26)16-13-21-20(28-16)22-18(25)15-9-11-23(12-10-15)17(24)8-7-14-5-3-2-4-6-14/h2-8,13,15H,9-12H2,1H3,(H,21,22,25)/b8-7+