[3-[(2,3-dimethylphenyl)carbonylamino]-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-diethyl-azanium

Systemtic Name: [3-[(2,3-dimethylphenyl)carbonylamino]-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-diethyl-azanium Openeye Name: [3-[(2,3-dimethylbenzoyl)amino]-2-methoxycarbonyl-thieno[2,3-b]pyridin-6-yl]methyl-diethyl-ammonium CAS Name: [3-[[(2,3-dimethylphenyl)-oxomethyl]amino]-2-methoxycarbonyl-6-thieno[2,3-b]pyridinyl]methyl-diethylammonium IUPAC Name: [3-[(2,3-dimethylbenzoyl)amino]-2-methoxycarbonylthieno[2,3-b]pyridin-6-yl]methyl-diethylazanium Traditional Name: [2-carbomethoxy-3-[(2,3-dimethylbenzoyl)amino]thieno[2,3-b]pyridin-6-yl]methyl-diethyl-ammonium Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-6-26(7-2)13-16-11-12-18-19(20(23(28)29-5)30-22(18)24-16)25-21(27)17-10-8-9-14(3)15(17)4/h8-12H,6-7,13H2,1-5H3,(H,25,27)/p+1