[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C25H25NO3S/c1-3-19-14-10-11-18(2)23(19)26-22(27)17-29-25(28)24(20-12-6-4-7-13-20)30-21-15-8-5-9-16-21/h4-16,24H,3,17H2,1-2H3,(H,26,27)