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

Systemtic Name: methyl 4-bromanyl-5-[3-(cyclohexylamino)phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate Openeye Name: methyl 4-bromo-5-[3-(cyclohexylamino)phenyl]-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 4-bromo-5-[3-(cyclohexylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-[3-(cyclohexylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 4-bromo-5-[3-(cyclohexylamino)phenyl]-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C22H26BrNO5S MolecularWeight: 496.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCCCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NC3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H26BrNO5S/c1-3-28-17(25)13-29-19-18(23)20(30-21(19)22(26)27-2)14-8-7-11-16(12-14)24-15-9-5-4-6-10-15/h7-8,11-12,15,24H,3-6,9-10,13H2,1-2H3