[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxidanylidene-ethyl] 4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[[(1R)-1-(1-naphthyl)ethyl]amino]-2-oxo-ethyl] 4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 4-[4-(methylthio)phenyl]-4-oxobutanoic acid [2-[[(1R)-1-(1-naphthalenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-[4-(methylthio)phenyl]butyric acid [2-keto-2-[[(1R)-1-(1-naphthyl)ethyl]amino]ethyl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)COC(=O)CCC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C25H25NO4S/c1-17(21-9-5-7-18-6-3-4-8-22(18)21)26-24(28)16-30-25(29)15-14-23(27)19-10-12-20(31-2)13-11-19/h3-13,17H,14-16H2,1-2H3,(H,26,28)/t17-/m1/s1