[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C20H23NO4S/c1-3-4-13-24-16-11-9-15(10-12-16)20(23)25-14-19(22)21-17-7-5-6-8-18(17)26-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,22)