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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[2-[4-[4-(methylthio)benzyl]piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C23H31N3O3S2/c1-5-19-16(2)31-22(21(19)23(28)29-3)24-20(27)15-26-12-10-25(11-13-26)14-17-6-8-18(30-4)9-7-17/h6-9H,5,10-15H2,1-4H3,(H,24,27)