[azanyl-(3,4-dimethylphenyl)methyl]sulfanyl (2S)-2-azanylpropanoate

Systemtic Name: [azanyl-(3,4-dimethylphenyl)methyl]sulfanyl (2S)-2-azanylpropanoate Openeye Name: [amino-(3,4-dimethylphenyl)methyl]sulfanyl (2S)-2-aminopropanoate CAS Name: (2S)-2-aminopropanoic acid [[amino-(3,4-dimethylphenyl)methyl]thio] ester IUPAC Name: [amino-(3,4-dimethylphenyl)methyl]sulfanyl (2S)-2-aminopropanoate Traditional Name: (2S)-2-aminopropionic acid [[amino-(3,4-dimethylphenyl)methyl]thio] ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(N)SOC(=O)C(C)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(N)SOC(=O)[C@H](C)N)C

InChI

InChI=1S/C12H18N2O2S/c1-7-4-5-10(6-8(7)2)11(14)17-16-12(15)9(3)13/h4-6,9,11H,13-14H2,1-3H3/t9-,11?/m0/s1