[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)COC(=O)C1=CC=CC=C1SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C25H30N2O3S/c1-18(2)14-27(15-19(3)4)24(28)16-30-25(29)22-7-5-6-8-23(22)31-17-21-11-9-20(13-26)10-12-21/h5-12,18-19H,14-17H2,1-4H3