[(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-[4-(dimethylamino)anilino]-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-2-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C21H26N2O3S/c1-14-6-11-19(12-15(14)2)27-13-20(24)26-16(3)21(25)22-17-7-9-18(10-8-17)23(4)5/h6-12,16H,13H2,1-5H3,(H,22,25)/t16-/m1/s1