furan-2-ylmethyl-[[2-methoxycarbonyl-3-[(4-methylphenyl)carbonylamino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-azanium

Systemtic Name: furan-2-ylmethyl-[[2-methoxycarbonyl-3-[(4-methylphenyl)carbonylamino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-azanium Openeye Name: 2-furylmethyl-[[2-methoxycarbonyl-3-[(4-methylbenzoyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methyl-ammonium CAS Name: 2-furanylmethyl-[[2-methoxycarbonyl-3-[[(4-methylphenyl)-oxomethyl]amino]-6-thieno[2,3-b]pyridinyl]methyl]-methylammonium IUPAC Name: furan-2-ylmethyl-[[2-methoxycarbonyl-3-[(4-methylbenzoyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-methylazanium Traditional Name: [2-carbomethoxy-3-(p-toluoylamino)thieno[2,3-b]pyridin-6-yl]methyl-(2-furfuryl)-methyl-ammonium Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(SC3=C2C=CC(=N3)C[NH+](C)CC4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(SC3=C2C=CC(=N3)C[NH+](C)CC4=CC=CO4)C(=O)OC

InChI

InChI=1S/C24H23N3O4S/c1-15-6-8-16(9-7-15)22(28)26-20-19-11-10-17(13-27(2)14-18-5-4-12-31-18)25-23(19)32-21(20)24(29)30-3/h4-12H,13-14H2,1-3H3,(H,26,28)/p+1