[2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-[2-methoxy-5-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-[2-methoxy-5-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-keto-2-(2-methoxy-5-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H26N4O6S2 MolecularWeight: 494.58434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CSC(=N3)NCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)COC(=O)C3=CSC(=N3)NCC=C

InChI

InChI=1S/C21H26N4O6S2/c1-3-9-22-21-24-17(14-32-21)20(27)31-13-19(26)23-16-12-15(7-8-18(16)30-2)33(28,29)25-10-5-4-6-11-25/h3,7-8,12,14H,1,4-6,9-11,13H2,2H3,(H,22,24)(H,23,26)