[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-3-16-9-8-10-17(4-2)21(16)22-19(23)15-25-20(24)13-14-26-18-11-6-5-7-12-18/h5-12H,3-4,13-15H2,1-2H3,(H,22,23)