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

Systemtic Name: methyl 4-bromanyl-5-[3-(cyclohexylmethylamino)phenyl]-3-(2-ethoxy-2-oxidanylidene-ethoxy)thiophene-2-carboxylate Openeye Name: methyl 4-bromo-5-[3-(cyclohexylmethylamino)phenyl]-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 4-bromo-5-[3-(cyclohexylmethylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-[3-(cyclohexylmethylamino)phenyl]-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 4-bromo-5-[3-(cyclohexylmethylamino)phenyl]-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C23H28BrNO5S MolecularWeight: 510.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NCC3CCCCC3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NCC3CCCCC3)C(=O)OC

InChI

InChI=1S/C23H28BrNO5S/c1-3-29-18(26)14-30-20-19(24)21(31-22(20)23(27)28-2)16-10-7-11-17(12-16)25-13-15-8-5-4-6-9-15/h7,10-12,15,25H,3-6,8-9,13-14H2,1-2H3