tert-butyl 3-[[1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[1-(2-furylmethylcarbamoyl)-3-methylsulfanyl-propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[1-(2-furanylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[1-(furan-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[1-(2-furfurylcarbamoyl)-3-(methylthio)propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C25H33N3O5S MolecularWeight: 487.61162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CCSC)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CCSC)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C25H33N3O5S/c1-25(2,3)33-24(31)28-16-18-9-6-5-8-17(18)14-21(28)23(30)27-20(11-13-34-4)22(29)26-15-19-10-7-12-32-19/h5-10,12,20-21H,11,13-16H2,1-4H3,(H,26,29)(H,27,30)