ethyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate

Systemtic Name: ethyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate Openeye Name: ethyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate CAS Name: 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]methyl]furan-2-carboxylic acid ethyl ester Formula: C24H22N2O7S MolecularWeight: 482.50568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)OC2=O

InChI

InChI=1S/C24H22N2O7S/c1-2-31-23(27)21-10-7-18(32-21)15-26-20-9-8-19(13-22(20)33-24(26)28)34(29,30)25-12-11-16-5-3-4-6-17(16)14-25/h3-10,13H,2,11-12,14-15H2,1H3