ethyl 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoyloxy]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[2-(1,3-benzoxazol-2-ylthio)-1-oxoethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[2-(1,3-benzoxazol-2-ylthio)acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2)C)C

InChI

InChI=1S/C20H20N2O6S/c1-4-26-19(25)18-12(3)21-11(2)17(18)14(23)9-27-16(24)10-29-20-22-13-7-5-6-8-15(13)28-20/h5-8,21H,4,9-10H2,1-3H3