dimethyl 5-azanyl-3-[(2-benzamido-3-phenyl-propanoyl)oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(2-benzamido-3-phenyl-propanoyl)oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-benzamido-3-phenyl-propanoyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-benzamido-1-oxo-3-phenylpropoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-benzamido-3-phenylpropanoyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-benzamido-3-phenyl-propanoyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)C(=O)OC)N

InChI

InChI=1S/C25H24N2O7S/c1-32-24(30)19-17(20(25(31)33-2)35-21(19)26)14-34-23(29)18(13-15-9-5-3-6-10-15)27-22(28)16-11-7-4-8-12-16/h3-12,18H,13-14,26H2,1-2H3,(H,27,28)