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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H19NO3S/c1-3-13-7-9-14(10-8-13)18(21)22-12-17(20)19-15-5-4-6-16(11-15)23-2/h4-11H,3,12H2,1-2H3,(H,19,20)