methyl 3-acetamido-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate

Systemtic Name: methyl 3-acetamido-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate Openeye Name: methyl 3-acetamido-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate CAS Name: 3-acetamido-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-acetamido-5-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]thiophene-2-carboxylate Traditional Name: 3-acetamido-5-[3-methoxy-4-(4-nitrobenzyl)oxy-phenyl]thiophene-2-carboxylic acid methyl ester Formula: C22H20N2O7S MolecularWeight: 456.4684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC(=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC(=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])OC)C(=O)OC

InChI

InChI=1S/C22H20N2O7S/c1-13(25)23-17-11-20(32-21(17)22(26)30-3)15-6-9-18(19(10-15)29-2)31-12-14-4-7-16(8-5-14)24(27)28/h4-11H,12H2,1-3H3,(H,23,25)