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

Systemtic Name: [2-methoxycarbonyl-3-(2-phenylethanoylamino)thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxyethyl)-propan-2-yl-azanium Openeye Name: isopropyl-[[2-methoxycarbonyl-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl]-(2-methoxyethyl)ammonium CAS Name: [2-methoxycarbonyl-3-[(1-oxo-2-phenylethyl)amino]-6-thieno[2,3-b]pyridinyl]methyl-(2-methoxyethyl)-propan-2-ylammonium IUPAC Name: [2-methoxycarbonyl-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-(2-methoxyethyl)-propan-2-ylazanium Traditional Name: [2-carbomethoxy-3-[(2-phenylacetyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-isopropyl-(2-methoxyethyl)ammonium Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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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)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O4S/c1-16(2)27(12-13-30-3)15-18-10-11-19-21(22(24(29)31-4)32-23(19)25-18)26-20(28)14-17-8-6-5-7-9-17/h5-11,16H,12-15H2,1-4H3,(H,26,28)/p+1