[3-(furan-2-ylcarbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-methyl-(2-methylpropyl)azanium

Systemtic Name: [3-(furan-2-ylcarbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-methyl-(2-methylpropyl)azanium Openeye Name: [3-(furan-2-carbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-isobutyl-methyl-ammonium CAS Name: [3-[[2-furanyl(oxo)methyl]amino]-2-methoxycarbonyl-6-thieno[2,3-b]pyridinyl]methyl-methyl-(2-methylpropyl)ammonium IUPAC Name: [3-(furan-2-carbonylamino)-2-methoxycarbonylthieno[2,3-b]pyridin-6-yl]methyl-methyl-(2-methylpropyl)azanium Traditional Name: [2-carbomethoxy-3-(2-furoylamino)thieno[2,3-b]pyridin-6-yl]methyl-isobutyl-methyl-ammonium Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](C)CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C[NH+](C)CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C20H23N3O4S/c1-12(2)10-23(3)11-13-7-8-14-16(22-18(24)15-6-5-9-27-15)17(20(25)26-4)28-19(14)21-13/h5-9,12H,10-11H2,1-4H3,(H,22,24)/p+1