[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(2-carbethoxyanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H24N2O3S/c1-4-25-20(24)17-7-5-6-8-18(17)21-19(23)14-22(2)13-15-9-11-16(26-3)12-10-15/h5-12H,4,13-14H2,1-3H3,(H,21,23)/p+1