methyl 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-[2-(4-methylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[2-(4-methyl-1-piperazinyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-(4-methylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-22-8-10-23(11-9-22)12-17(24)21-19-18(20(25)27-3)16(13-28-19)14-4-6-15(26-2)7-5-14/h4-7,13H,8-12H2,1-3H3,(H,21,24)