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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=C(S3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)NC3=C(C=C(S3)C)C(=O)OC

InChI

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