O2-ethyl O4-methyl 5-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-methyl 5-[2-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-methyl 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester IUPAC Name: 2-O-ethyl 4-O-methyl 5-[[2-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-methyl ester Formula: C20H24BrN3O7S3 MolecularWeight: 594.51946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)C(=O)OC)C

InChI

InChI=1S/C20H24BrN3O7S3/c1-4-31-20(27)17-12(2)16(19(26)30-3)18(33-17)22-14(25)11-23-7-9-24(10-8-23)34(28,29)15-6-5-13(21)32-15/h5-6H,4,7-11H2,1-3H3,(H,22,25)