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

Systemtic Name: ethyl 3-methyl-5-[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-[[2-[4-(3-thienylmethyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(3-thiophenylmethyl)-1-piperazinyl]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[[2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-methyl-5-[[2-[4-(3-thenyl)piperazino]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C19H25N3O3S2/c1-3-25-19(24)18-14(2)10-17(27-18)20-16(23)12-22-7-5-21(6-8-22)11-15-4-9-26-13-15/h4,9-10,13H,3,5-8,11-12H2,1-2H3,(H,20,23)