methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-(2-ethoxy-2-oxo-ethoxy)-5-[3-[(1-methylsulfonyl-4-piperidyl)amino]phenyl]thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-[(1-methylsulfonyl-4-piperidinyl)amino]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-[(1-methylsulfonylpiperidin-4-yl)amino]phenyl]thiophene-2-carboxylate Traditional Name: 4-bromo-3-(2-ethoxy-2-keto-ethoxy)-5-[3-[(1-mesyl-4-piperidyl)amino]phenyl]thiophene-2-carboxylic acid methyl ester Formula: C22H27BrN2O7S2 MolecularWeight: 575.49298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCN(CC3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCN(CC3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C22H27BrN2O7S2/c1-4-31-17(26)13-32-19-18(23)20(33-21(19)22(27)30-2)14-6-5-7-16(12-14)24-15-8-10-25(11-9-15)34(3,28)29/h5-7,12,15,24H,4,8-11,13H2,1-3H3