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

Systemtic Name: ethyl 2-[6-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-oxidanylidene-1,3-benzoxazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H20N2O6S MolecularWeight: 416.4476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O6S/c1-2-27-19(23)13-22-17-8-7-16(11-18(17)28-20(22)24)29(25,26)21-10-9-14-5-3-4-6-15(14)12-21/h3-8,11H,2,9-10,12-13H2,1H3