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

Systemtic Name: [3-(furan-3-ylcarbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxyethyl)-propan-2-yl-azanium Openeye Name: [3-(furan-3-carbonylamino)-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-isopropyl-(2-methoxyethyl)ammonium CAS Name: [3-[[3-furanyl(oxo)methyl]amino]-2-methoxycarbonyl-6-thieno[2,3-b]pyridinyl]methyl-(2-methoxyethyl)-propan-2-ylammonium IUPAC Name: [3-(furan-3-carbonylamino)-2-methoxycarbonylthieno[2,3-b]pyridin-6-yl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: [2-carbomethoxy-3-(3-furoylamino)thieno[2,3-b]pyridin-6-yl]methyl-isopropyl-(2-methoxyethyl)ammonium Formula: C21H26N3O5S+ MolecularWeight: 432.51324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-13(2)24(8-10-27-3)11-15-5-6-16-17(23-19(25)14-7-9-29-12-14)18(21(26)28-4)30-20(16)22-15/h5-7,9,12-13H,8,10-11H2,1-4H3,(H,23,25)/p+1