(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OC(C)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OC(C)C(=O)N)C

InChI

InChI=1S/C14H19NO3S/c1-9-4-5-12(8-10(9)2)19-7-6-13(16)18-11(3)14(15)17/h4-5,8,11H,6-7H2,1-3H3,(H2,15,17)