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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[4-[(3-methylisoxazol-5-yl)methyl]piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H30N4O4S MolecularWeight: 434.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC(=NO3)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC(=NO3)C)C

InChI

InChI=1S/C21H30N4O4S/c1-5-17-15(4)30-20(19(17)21(27)28-6-2)22-18(26)13-25-9-7-24(8-10-25)12-16-11-14(3)23-29-16/h11H,5-10,12-13H2,1-4H3,(H,22,26)