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

Systemtic Name: methyl 4-bromanyl-3-(2-ethoxy-2-oxidanylidene-ethoxy)-5-[3-[(phenylmethyl)amino]phenyl]thiophene-2-carboxylate Openeye Name: methyl 5-[3-(benzylamino)phenyl]-4-bromo-3-(2-ethoxy-2-oxo-ethoxy)thiophene-2-carboxylate CAS Name: 4-bromo-3-(2-ethoxy-2-oxoethoxy)-5-[3-[(phenylmethyl)amino]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[3-(benzylamino)phenyl]-4-bromo-3-(2-ethoxy-2-oxoethoxy)thiophene-2-carboxylate Traditional Name: 5-[3-(benzylamino)phenyl]-4-bromo-3-(2-ethoxy-2-keto-ethoxy)thiophene-2-carboxylic acid methyl ester Formula: C23H22BrNO5S MolecularWeight: 504.39348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)COC1=C(SC(=C1Br)C2=CC(=CC=C2)NCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H22BrNO5S/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/h4-12,25H,3,13-14H2,1-2H3