tert-butyl 2-carbamimidoyl-3-[2-[2-(phenylmethylsulfanyl)propanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate

Systemtic Name: tert-butyl 2-carbamimidoyl-3-[2-[2-(phenylmethylsulfanyl)propanoylamino]ethyl]-2,3-dihydro-1-benzofuran-5-carboxylate Openeye Name: tert-butyl 3-[2-(2-benzylsulfanylpropanoylamino)ethyl]-2-carbamimidoyl-2,3-dihydrobenzofuran-5-carboxylate CAS Name: 2-carbamimidoyl-3-[2-[[1-oxo-2-(phenylmethylthio)propyl]amino]ethyl]-2,3-dihydrobenzofuran-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(2-benzylsulfanylpropanoylamino)ethyl]-2-carbamimidoyl-2,3-dihydro-1-benzofuran-5-carboxylate Traditional Name: 2-amidino-3-[2-[2-(benzylthio)propanoylamino]ethyl]coumaran-5-carboxylic acid tert-butyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1C(OC2=C1C=C(C=C2)C(=O)OC(C)(C)C)C(=N)N)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCC1C(OC2=C1C=C(C=C2)C(=O)OC(C)(C)C)C(=N)N)SCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4S/c1-16(34-15-17-8-6-5-7-9-17)24(30)29-13-12-19-20-14-18(25(31)33-26(2,3)4)10-11-21(20)32-22(19)23(27)28/h5-11,14,16,19,22H,12-13,15H2,1-4H3,(H3,27,28)(H,29,30)