diethyl 3-methyl-5-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[4-(1-naphthylmethyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[4-(1-naphthylmethyl)piperazino]acetyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H33N3O5S/c1-4-35-27(33)24-19(3)25(28(34)36-5-2)37-26(24)29-23(32)18-31-15-13-30(14-16-31)17-21-11-8-10-20-9-6-7-12-22(20)21/h6-12H,4-5,13-18H2,1-3H3,(H,29,32)