[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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