[2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)amino]-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-[4-(dimethylamino)anilino]-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-[4-(dimethylamino)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-[4-(dimethylamino)anilino]-2-keto-ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2SC[C@H]3CCCO3

InChI

InChI=1S/C22H26N2O4S/c1-24(2)17-11-9-16(10-12-17)23-21(25)14-28-22(26)19-7-3-4-8-20(19)29-15-18-6-5-13-27-18/h3-4,7-12,18H,5-6,13-15H2,1-2H3,(H,23,25)/t18-/m1/s1