3-[2,3-dihydro-1-benzofuran-5-ylcarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(1,3-thiazol-2-ylmethyl)azanium

Systemtic Name: 3-[2,3-dihydro-1-benzofuran-5-ylcarbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(1,3-thiazol-2-ylmethyl)azanium Openeye Name: 3-[tert-butoxycarbonyl(2,3-dihydrobenzofuran-5-carbonyl)amino]propyl-(thiazol-2-ylmethyl)ammonium CAS Name: 3-[[2,3-dihydrobenzofuran-5-yl(oxo)methyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-(2-thiazolylmethyl)ammonium IUPAC Name: 3-[2,3-dihydro-1-benzofuran-5-carbonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-(1,3-thiazol-2-ylmethyl)azanium Traditional Name: 3-[tert-butoxycarbonyl(coumaran-5-carbonyl)amino]propyl-(thiazol-2-ylmethyl)ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCC[NH2+]CC1=NC=CS1)C(=O)C2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C21H27N3O4S/c1-21(2,3)28-20(26)24(10-4-8-22-14-18-23-9-12-29-18)19(25)16-5-6-17-15(13-16)7-11-27-17/h5-6,9,12-13,22H,4,7-8,10-11,14H2,1-3H3/p+1