[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C22H25NO5S/c1-3-13-27-18-9-7-16(8-10-18)20(24)11-12-22(26)28-15-21(25)23-17-5-4-6-19(14-17)29-2/h4-10,14H,3,11-13,15H2,1-2H3,(H,23,25)