ethyl 4-methyl-2-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[2-(allylamino)-2-keto-ethyl]piperazino]acetyl]amino]-4-methyl-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC(=O)NCC=C

InChI

InChI=1S/C25H32N4O4S/c1-4-11-26-20(30)16-28-12-14-29(15-13-28)17-21(31)27-24-22(25(32)33-5-2)18(3)23(34-24)19-9-7-6-8-10-19/h4,6-10H,1,5,11-17H2,2-3H3,(H,26,30)(H,27,31)