[3-[(4-fluorophenyl)carbonylamino]-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-methyl-propan-2-yl-azanium

Systemtic Name: [3-[(4-fluorophenyl)carbonylamino]-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-methyl-propan-2-yl-azanium Openeye Name: [3-[(4-fluorobenzoyl)amino]-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-isopropyl-methyl-ammonium CAS Name: [3-[[(4-fluorophenyl)-oxomethyl]amino]-2-methoxycarbonyl-6-thieno[2,3-b]pyridinyl]methyl-methyl-propan-2-ylammonium IUPAC Name: [3-[(4-fluorobenzoyl)amino]-2-methoxycarbonylthieno[2,3-b]pyridin-6-yl]methyl-methyl-propan-2-ylazanium Traditional Name: [2-carbomethoxy-3-[(4-fluorobenzoyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-isopropyl-methyl-ammonium Formula: C21H23FN3O3S+ MolecularWeight: 416.489023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O3S/c1-12(2)25(3)11-15-9-10-16-17(18(21(27)28-4)29-20(16)23-15)24-19(26)13-5-7-14(22)8-6-13/h5-10,12H,11H2,1-4H3,(H,24,26)/p+1