1-adamantylmethyl 2-[1-methyl-4,6-bis(oxidanylidene)-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]ethanoate

Systemtic Name: 1-adamantylmethyl 2-[1-methyl-4,6-bis(oxidanylidene)-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl]ethanoate Openeye Name: 1-adamantylmethyl 2-(1-methyl-4,6-dioxo-5-phenyl-2-thioxo-hexahydropyrimidin-5-yl)acetate CAS Name: 2-(1-methyl-4,6-dioxo-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)acetic acid 1-adamantylmethyl ester IUPAC Name: 1-adamantylmethyl 2-(1-methyl-4,6-dioxo-5-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)acetate Traditional Name: 2-(4,6-diketo-1-methyl-5-phenyl-2-thioxo-hexahydropyrimidin-5-yl)acetic acid 1-adamantylmethyl ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)(CC(=O)OCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C(C(=O)NC1=S)(CC(=O)OCC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C24H28N2O4S/c1-26-21(29)24(20(28)25-22(26)31,18-5-3-2-4-6-18)13-19(27)30-14-23-10-15-7-16(11-23)9-17(8-15)12-23/h2-6,15-17H,7-14H2,1H3,(H,25,28,31)