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

Systemtic Name: ethyl 3-methyl-5-[2-(4-naphthalen-1-ylcarbonylpiperazin-1-yl)ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[2-[4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[4-(1-naphthoyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C25H27N3O4S/c1-3-32-25(31)23-17(2)15-22(33-23)26-21(29)16-27-11-13-28(14-12-27)24(30)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,15H,3,11-14,16H2,1-2H3,(H,26,29)