ethyl 4-methyl-2-[pentyl-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[pentyl-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[pentyl-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[pentyl-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[1-[(E)-3-phenylacryloyl]isonipecotoyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C27H35N3O4S/c1-4-6-10-17-30(27-28-20(3)24(35-27)26(33)34-5-2)25(32)22-15-18-29(19-16-22)23(31)14-13-21-11-8-7-9-12-21/h7-9,11-14,22H,4-6,10,15-19H2,1-3H3/b14-13+