dimethyl 5-azanyl-3-(2-benzamidoethanoyloxymethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(2-benzamidoethanoyloxymethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(2-benzamidoacetyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(2-benzamido-1-oxoethoxy)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(2-benzamidoacetyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-(hippuroyloxymethyl)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CNC(=O)C2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CNC(=O)C2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C18H18N2O7S/c1-25-17(23)13-11(14(18(24)26-2)28-15(13)19)9-27-12(21)8-20-16(22)10-6-4-3-5-7-10/h3-7H,8-9,19H2,1-2H3,(H,20,22)