[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C22H28N2O3S/c1-16-5-10-20(13-17(16)2)28-12-11-22(26)27-15-21(25)23-14-18-6-8-19(9-7-18)24(3)4/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,25)