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

Systemtic Name: tert-butyl 2-[6-[[4-(C-methylsulfanylcarbonimidoyl)phenyl]carbonylamino]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoate Openeye Name: tert-butyl 2-[6-[[4-(methylsulfanylcarbonimidoyl)benzoyl]amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate CAS Name: 2-[6-[[[4-[imino-(methylthio)methyl]phenyl]-oxomethyl]amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[6-[[4-(C-methylsulfanylcarbonimidoyl)benzoyl]amino]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetate Traditional Name: 2-[1-keto-6-[[4-[(methylthio)carbonimidoyl]benzoyl]amino]-3,4-dihydroisoquinolin-2-yl]acetic acid tert-butyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4S/c1-24(2,3)31-20(28)14-27-12-11-17-13-18(9-10-19(17)23(27)30)26-22(29)16-7-5-15(6-8-16)21(25)32-4/h5-10,13,25H,11-12,14H2,1-4H3,(H,26,29)