methyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate Openeye Name: methyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate CAS Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetate Traditional Name: 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-keto-1,3-benzoxazol-3-yl]acetic acid methyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC1=O

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC1=O

InChI

InChI=1S/C19H18N2O6S/c1-26-18(22)12-21-16-7-6-15(10-17(16)27-19(21)23)28(24,25)20-9-8-13-4-2-3-5-14(13)11-20/h2-7,10H,8-9,11-12H2,1H3