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

Systemtic Name: ethyl 5-[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]ethanoylamino]-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]acetyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-(3-bromobenzyl)piperazino]acetyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H25BrN4O3S MolecularWeight: 505.4279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC(=CC=C3)Br)C#N)C

InChI

InChI=1S/C22H25BrN4O3S/c1-3-30-22(29)20-15(2)18(12-24)21(31-20)25-19(28)14-27-9-7-26(8-10-27)13-16-5-4-6-17(23)11-16/h4-6,11H,3,7-10,13-14H2,1-2H3,(H,25,28)