[2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[[3-ethoxycarbonyl-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-[[3-carbethoxy-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C23H31N2O7S+ MolecularWeight: 479.56644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C23H30N2O7S/c1-5-30-22(27)19-16(2)20(23(28)32-14-13-29-4)33-21(19)24-18(26)15-25(3)11-12-31-17-9-7-6-8-10-17/h6-10H,5,11-15H2,1-4H3,(H,24,26)/p+1