[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=C(C=C2)SC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=C(C=C2)SC)OC)C

InChI

InChI=1S/C21H25NO4S/c1-14-6-7-16(15(2)10-14)12-22(3)20(23)13-26-21(24)18-9-8-17(27-5)11-19(18)25-4/h6-11H,12-13H2,1-5H3