ethyl 3-bromanyl-4-[5-(4-methoxyphenyl)-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-pentan-2-yl]sulfanyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[5-(4-methoxyphenyl)-1-[(4-nitrophenyl)methoxy]-1-oxidanylidene-pentan-2-yl]sulfanyl-benzoate Openeye Name: ethyl 3-bromo-4-[4-(4-methoxyphenyl)-1-[(4-nitrophenyl)methoxycarbonyl]butyl]sulfanyl-benzoate CAS Name: 3-bromo-4-[[5-(4-methoxyphenyl)-1-[(4-nitrophenyl)methoxy]-1-oxopentan-2-yl]thio]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[5-(4-methoxyphenyl)-1-[(4-nitrophenyl)methoxy]-1-oxopentan-2-yl]sulfanylbenzoate Traditional Name: 3-bromo-4-[[4-(4-methoxyphenyl)-1-(4-nitrobenzyl)oxycarbonyl-butyl]thio]benzoic acid ethyl ester Formula: C28H28BrNO7S MolecularWeight: 602.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)SC(CCCC2=CC=C(C=C2)OC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)SC(CCCC2=CC=C(C=C2)OC)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C28H28BrNO7S/c1-3-36-27(31)21-11-16-25(24(29)17-21)38-26(6-4-5-19-9-14-23(35-2)15-10-19)28(32)37-18-20-7-12-22(13-8-20)30(33)34/h7-17,26H,3-6,18H2,1-2H3