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

Systemtic Name: ethyl 5-[2-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-(5-bromo-2-pyridyl)piperazin-1-yl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(5-bromo-2-pyridyl)piperazino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H23BrN4O3S MolecularWeight: 467.37992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN4O3S/c1-3-27-19(26)18-13(2)10-17(28-18)22-16(25)12-23-6-8-24(9-7-23)15-5-4-14(20)11-21-15/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,22,25)