(4-methylphenyl)methyl 3,3-bis(azanyl)-2-oxidanylidene-3-propan-2-ylsulfanyl-propanoate

Systemtic Name: (4-methylphenyl)methyl 3,3-bis(azanyl)-2-oxidanylidene-3-propan-2-ylsulfanyl-propanoate Openeye Name: p-tolylmethyl 3,3-diamino-3-isopropylsulfanyl-2-oxo-propanoate CAS Name: 3,3-diamino-2-oxo-3-(propan-2-ylthio)propanoic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 3,3-diamino-2-oxo-3-propan-2-ylsulfanylpropanoate Traditional Name: 3,3-diamino-3-(isopropylthio)-2-keto-propionic acid (4-methylbenzyl) ester Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C(=O)C(N)(N)SC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C(=O)C(N)(N)SC(C)C

InChI

InChI=1S/C14H20N2O3S/c1-9(2)20-14(15,16)12(17)13(18)19-8-11-6-4-10(3)5-7-11/h4-7,9H,8,15-16H2,1-3H3