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

Systemtic Name: ethyl 5-ethyl-2-[2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(2-anilino-2-keto-ethyl)piperazino]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H30N4O4S/c1-3-18-14-19(23(30)31-4-2)22(32-18)25-21(29)16-27-12-10-26(11-13-27)15-20(28)24-17-8-6-5-7-9-17/h5-9,14H,3-4,10-13,15-16H2,1-2H3,(H,24,28)(H,25,29)