[3-acetyloxy-4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] ethanoate

Systemtic Name: [3-acetyloxy-4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] ethanoate Openeye Name: [3-acetoxy-4-(4,6,6-trimethyl-3-phenyl-2-thioxo-hexahydropyrimidin-4-yl)phenyl] acetate CAS Name: acetic acid [3-acetyloxy-4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] ester IUPAC Name: [3-acetyloxy-4-(4,6,6-trimethyl-3-phenyl-2-sulfanylidene-1,3-diazinan-4-yl)phenyl] acetate Traditional Name: acetic acid [3-acetoxy-4-(4,6,6-trimethyl-3-phenyl-2-thioxo-hexahydropyrimidin-4-yl)phenyl] ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2C3=CC=CC=C3)(C)C)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2C3=CC=CC=C3)(C)C)C)OC(=O)C

InChI

InChI=1S/C23H26N2O4S/c1-15(26)28-18-11-12-19(20(13-18)29-16(2)27)23(5)14-22(3,4)24-21(30)25(23)17-9-7-6-8-10-17/h6-13H,14H2,1-5H3,(H,24,30)