[2-methoxycarbonyl-3-(2-phenylethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)-methyl-azanium

Systemtic Name: [2-methoxycarbonyl-3-(2-phenylethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxy-2-oxidanylidene-ethyl)-methyl-azanium Openeye Name: [2-methoxycarbonyl-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxy-2-oxo-ethyl)-methyl-ammonium CAS Name: [2-methoxycarbonyl-3-[(1-oxo-2-phenylethyl)amino]-6-thieno[2,3-b]pyridinyl]methyl-(2-methoxy-2-oxoethyl)-methylammonium IUPAC Name: [2-methoxycarbonyl-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxy-2-oxoethyl)-methylazanium Traditional Name: [2-carbomethoxy-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-(2-keto-2-methoxy-ethyl)-methyl-ammonium Formula: C22H24N3O5S+ MolecularWeight: 442.50806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)CC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

C[NH+](CC1=NC2=C(C=C1)C(=C(S2)C(=O)OC)NC(=O)CC3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C22H23N3O5S/c1-25(13-18(27)29-2)12-15-9-10-16-19(20(22(28)30-3)31-21(16)23-15)24-17(26)11-14-7-5-4-6-8-14/h4-10H,11-13H2,1-3H3,(H,24,26)/p+1