[2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]-methyl-azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-[(3-methoxy-4-oxidanyl-phenyl)methyl]-methyl-azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-[(4-hydroxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-[(4-hydroxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-[(4-hydroxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [2-[(3-carbethoxy-5-carbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-methyl-vanillyl-ammonium Formula: C21H27N2O7S+ MolecularWeight: 451.51328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-6-30-20(26)17-12(2)18(21(27)29-5)31-19(17)22-16(25)11-23(3)10-13-7-8-14(24)15(9-13)28-4/h7-9,24H,6,10-11H2,1-5H3,(H,22,25)/p+1