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

Systemtic Name: methyl 5-ethyl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(2-methoxyphenyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3OC)C(=O)OC

InChI

InChI=1S/C21H27N3O4S/c1-4-15-13-16(21(26)28-3)20(29-15)22-19(25)14-23-9-11-24(12-10-23)17-7-5-6-8-18(17)27-2/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)