ethyl 3-[3-azanyl-4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-phenyl]propanoate

Systemtic Name: ethyl 3-[3-azanyl-4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-phenyl]propanoate Openeye Name: ethyl 3-[3-amino-4-[2-(dimethylcarbamoyl)phenyl]sulfanyl-phenyl]propanoate CAS Name: 3-[3-amino-4-[[2-[dimethylamino(oxo)methyl]phenyl]thio]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-amino-4-[2-(dimethylcarbamoyl)phenyl]sulfanylphenyl]propanoate Traditional Name: 3-[3-amino-4-[[2-(dimethylcarbamoyl)phenyl]thio]phenyl]propionic acid ethyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)N(C)C)N

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)N(C)C)N

InChI

InChI=1S/C20H24N2O3S/c1-4-25-19(23)12-10-14-9-11-18(16(21)13-14)26-17-8-6-5-7-15(17)20(24)22(2)3/h5-9,11,13H,4,10,12,21H2,1-3H3