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

Systemtic Name: [2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[[3-ethoxycarbonyl-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[[3-ethoxycarbonyl-5-(2-methoxyethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[[3-carbethoxy-5-(2-methoxyethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-keto-ethyl]-methyl-ammonium Formula: C22H29N2O6S+ MolecularWeight: 449.54046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCCOC)NC(=O)C[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-5-29-21(26)18-15(2)19(22(27)30-12-11-28-4)31-20(18)23-17(25)14-24(3)13-16-9-7-6-8-10-16/h6-10H,5,11-14H2,1-4H3,(H,23,25)/p+1