[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C21H25NO3S/c1-21(2,3)17-11-7-8-12-18(17)22-19(23)15-25-20(24)13-14-26-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3,(H,22,23)