(phenylmethyl) 2-azanyl-2-(2,2-dimethyl-1,3-dioxan-5-yl)-3-sulfanylidene-propanoate

Systemtic Name: (phenylmethyl) 2-azanyl-2-(2,2-dimethyl-1,3-dioxan-5-yl)-3-sulfanylidene-propanoate Openeye Name: benzyl 2-amino-2-(2,2-dimethyl-1,3-dioxan-5-yl)-3-thioxo-propanoate CAS Name: 2-amino-2-(2,2-dimethyl-1,3-dioxan-5-yl)-3-sulfanylidenepropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-2-(2,2-dimethyl-1,3-dioxan-5-yl)-3-sulfanylidenepropanoate Traditional Name: 2-amino-2-(2,2-dimethyl-1,3-dioxan-5-yl)-3-thioxo-propionic acid benzyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)C(C=S)(C(=O)OCC2=CC=CC=C2)N)C

Isomeric SMILES

CC1(OCC(CO1)C(C=S)(C(=O)OCC2=CC=CC=C2)N)C

InChI

InChI=1S/C16H21NO4S/c1-15(2)20-9-13(10-21-15)16(17,11-22)14(18)19-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10,17H2,1-2H3