methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]ethanoate

Systemtic Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]ethanoate Openeye Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]acetate CAS Name: 2-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]acetate Traditional Name: 2-[3-[(3,4-dimethylphenyl)thio]propanoylamino]acetic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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