ethyl 5-aminocarbonyl-2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-tert-butylphenyl)sulfonylpiperazino]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H34N4O6S2 MolecularWeight: 550.69066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H34N4O6S2/c1-6-35-24(32)20-16(2)21(22(26)31)36-23(20)27-19(30)15-28-11-13-29(14-12-28)37(33,34)18-9-7-17(8-10-18)25(3,4)5/h7-10H,6,11-15H2,1-5H3,(H2,26,31)(H,27,30)