(2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid (2-amino-2-keto-ethyl) ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-9-3-4-11(7-10(9)2)18-6-5-13(16)17-8-12(14)15/h3-4,7H,5-6,8H2,1-2H3,(H2,14,15)