tert-butyl 2-[6-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[6-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[[4-(methylsulfanylcarbonimidoyl)phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[[4-[imino-(methylthio)methyl]phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-6-[4-[(methylthio)carbonimidoyl]benzyl]oxy-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)SC

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCC2=C(C1=O)C=CC(=C2)OCC3=CC=C(C=C3)C(=N)SC

InChI

InChI=1S/C24H28N2O4S/c1-24(2,3)30-21(27)14-26-12-11-18-13-19(9-10-20(18)23(26)28)29-15-16-5-7-17(8-6-16)22(25)31-4/h5-10,13,25H,11-12,14-15H2,1-4H3