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

Systemtic Name: ethyl 3-methyl-5-[2-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-[[2-[4-[2-(allylamino)-2-keto-ethyl]piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC(=O)NCC=C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC(=O)NCC=C)C

InChI

InChI=1S/C19H28N4O4S/c1-4-6-20-15(24)12-22-7-9-23(10-8-22)13-16(25)21-17-11-14(3)18(28-17)19(26)27-5-2/h4,11H,1,5-10,12-13H2,2-3H3,(H,20,24)(H,21,25)