ethyl 5-[2-[4-[2-(furan-2-ylcarbonylamino)ethyl]piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[4-[2-(furan-2-ylcarbonylamino)ethyl]piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-[2-(furan-2-carbonylamino)ethyl]piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[2-[[2-furanyl(oxo)methyl]amino]ethyl]-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-[2-(furan-2-carbonylamino)ethyl]piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-[2-(2-furoylamino)ethyl]piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CCNC(=O)C3=CC=CO3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CCNC(=O)C3=CC=CO3)C

InChI

InChI=1S/C21H28N4O5S/c1-3-29-21(28)19-15(2)13-18(31-19)23-17(26)14-25-10-8-24(9-11-25)7-6-22-20(27)16-5-4-12-30-16/h4-5,12-13H,3,6-11,14H2,1-2H3,(H,22,27)(H,23,26)