[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C21H25NO5S/c1-4-5-12-26-18-11-6-15(13-19(18)25-2)21(24)27-14-20(23)22-16-7-9-17(28-3)10-8-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)