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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(SC(=C1)C2=CC(=CC=C2)OCOCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(SC(=C1)C2=CC(=CC=C2)OCOCC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H20N2O7S/c1-14(25)23-19-11-20(32-21(19)22(26)29-2)16-4-3-5-18(10-16)31-13-30-12-15-6-8-17(9-7-15)24(27)28/h3-11H,12-13H2,1-2H3,(H,23,25)