S-(4-aminophenyl) 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanethioate

Systemtic Name: S-(4-aminophenyl) 3-[(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)carbonylamino]propanethioate Openeye Name: S-(4-aminophenyl) 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanethioate CAS Name: 3-[[oxo-(2,2,5,5-tetramethyl-1,3-dioxan-4-yl)methyl]amino]propanethioic acid S-(4-aminophenyl) ester IUPAC Name: S-(4-aminophenyl) 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanethioate Traditional Name: 3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanethioic acid S-(4-aminophenyl) ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1C(=O)NCCC(=O)SC2=CC=C(C=C2)N)(C)C)C

Isomeric SMILES

CC1(COC(OC1C(=O)NCCC(=O)SC2=CC=C(C=C2)N)(C)C)C

InChI

InChI=1S/C18H26N2O4S/c1-17(2)11-23-18(3,4)24-15(17)16(22)20-10-9-14(21)25-13-7-5-12(19)6-8-13/h5-8,15H,9-11,19H2,1-4H3,(H,20,22)