[2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate

Systemtic Name: [2-[(4-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-phenylsulfanylpropanoate Openeye Name: [2-oxo-2-(4-sec-butylanilino)ethyl] 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid [2-(4-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butan-2-ylanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid [2-keto-2-(4-sec-butylanilino)ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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