methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylate Openeye Name: methyl 4-bromo-3-(2-ethoxy-2-oxo-ethoxy)-5-[3-(4-piperidylamino)phenyl]thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(4-piperidinylamino)phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-(piperidin-4-ylamino)phenyl]thiophene-2-carboxylate Traditional Name: 4-bromo-3-(2-ethoxy-2-keto-ethoxy)-5-[3-(4-piperidylamino)phenyl]thiophene-2-carboxylic acid methyl ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCNCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCNCC3)C(=O)OC

InChI

InChI=1S/C21H25BrN2O5S/c1-3-28-16(25)12-29-18-17(22)19(30-20(18)21(26)27-2)13-5-4-6-15(11-13)24-14-7-9-23-10-8-14/h4-6,11,14,23-24H,3,7-10,12H2,1-2H3