3-[[2-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-1,2-dioxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[(5-carbethoxy-3-carbomethoxy-4-methyl-2-thienyl)amino]-2-keto-acetyl]amino]propyl-dimethyl-ammonium Formula: C17H26N3O6S+ MolecularWeight: 400.46984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(=O)NCCC[NH+](C)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C(=O)NCCC[NH+](C)C)C(=O)OC)C

InChI

InChI=1S/C17H25N3O6S/c1-6-26-17(24)12-10(2)11(16(23)25-5)15(27-12)19-14(22)13(21)18-8-7-9-20(3)4/h6-9H2,1-5H3,(H,18,21)(H,19,22)/p+1