methyl 2-azanyl-2-[(3-isocyanophenyl)methyl]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-azanyl-2-[(3-isocyanophenyl)methyl]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-amino-2-[(3-isocyanophenyl)methyl]-4-methylsulfanyl-butanoate CAS Name: 2-amino-2-[(3-isocyanophenyl)methyl]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-amino-2-[(3-isocyanophenyl)methyl]-4-methylsulfanylbutanoate Traditional Name: 2-amino-2-(3-isocyanobenzyl)-4-(methylthio)butyric acid methyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)(CC1=CC(=CC=C1)[N+]#[C-])N

Isomeric SMILES

COC(=O)C(CCSC)(CC1=CC(=CC=C1)[N+]#[C-])N

InChI

InChI=1S/C14H18N2O2S/c1-16-12-6-4-5-11(9-12)10-14(15,7-8-19-3)13(17)18-2/h4-6,9H,7-8,10,15H2,2-3H3