dimethyl 5-azanyl-3-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[2-(1,2-benzoxazol-3-yl)ethanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[2-(1,2-benzoxazol-3-yl)-1-oxoethoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[2-(1,2-benzoxazol-3-yl)acetyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(2-indoxazen-3-ylacetyl)oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N2O7S MolecularWeight: 404.39384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)CC2=NOC3=CC=CC=C32)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)CC2=NOC3=CC=CC=C32)C(=O)OC)N

InChI

InChI=1S/C18H16N2O7S/c1-24-17(22)14-10(15(18(23)25-2)28-16(14)19)8-26-13(21)7-11-9-5-3-4-6-12(9)27-20-11/h3-6H,7-8,19H2,1-2H3