ethyl 5-bromanyl-2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[2-[cyclohexyl(methyl)amino]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[cyclohexyl(methyl)amino]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H27BrN2O3S MolecularWeight: 479.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CN(C)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CN(C)C3CCCCC3

InChI

InChI=1S/C22H27BrN2O3S/c1-3-28-22(27)19-18(15-10-6-4-7-11-15)20(23)29-21(19)24-17(26)14-25(2)16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-14H2,1-2H3,(H,24,26)