[2-methoxycarbonyl-3-[[(2S)-2-methylbutanoyl]amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-phenethyl-azanium

Systemtic Name: [2-methoxycarbonyl-3-[[(2S)-2-methylbutanoyl]amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-phenethyl-azanium Openeye Name: [2-methoxycarbonyl-3-[[(2S)-2-methylbutanoyl]amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-phenethyl-ammonium CAS Name: [2-methoxycarbonyl-3-[[(2S)-2-methyl-1-oxobutyl]amino]-6-thieno[2,3-b]pyridinyl]methyl-methyl-phenethylammonium IUPAC Name: [2-methoxycarbonyl-3-[[(2S)-2-methylbutanoyl]amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-phenethylazanium Traditional Name: [2-carbomethoxy-3-[[(2S)-2-methylbutanoyl]amino]thieno[2,3-b]pyridin-6-yl]methyl-methyl-phenethyl-ammonium Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+](C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC[C@H](C)C(=O)NC1=C(SC2=C1C=CC(=N2)C[NH+](C)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H29N3O3S/c1-5-16(2)22(28)26-20-19-12-11-18(25-23(19)31-21(20)24(29)30-4)15-27(3)14-13-17-9-7-6-8-10-17/h6-12,16H,5,13-15H2,1-4H3,(H,26,28)/p+1/t16-/m0/s1