[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=C(C=C1)N(C)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NCC1=CC=C(C=C1)N(C)C)SC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O3S/c1-15(26-18-7-5-4-6-8-18)20(24)25-14-19(23)21-13-16-9-11-17(12-10-16)22(2)3/h4-12,15H,13-14H2,1-3H3,(H,21,23)/t15-/m1/s1