(4-methylsulfanylphenyl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [4-(methylthio)benzyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO4S/c1-3-4-13-25-18-9-7-17(8-10-18)21(24)22-14-20(23)26-15-16-5-11-19(27-2)12-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,22,24)