dimethyl 5-azanyl-3-[[4-(phenylcarbonyl)phenoxy]methyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[4-(phenylcarbonyl)phenoxy]methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-benzoylphenoxy)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-benzoylphenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-benzoylphenoxy)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-benzoylphenoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C22H19NO6S/c1-27-21(25)17-16(19(22(26)28-2)30-20(17)23)12-29-15-10-8-14(9-11-15)18(24)13-6-4-3-5-7-13/h3-11H,12,23H2,1-2H3