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

Systemtic Name: [3-acetyloxy-4-[(4S,6R)-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]phenyl] ethanoate Openeye Name: [3-acetoxy-4-[(4S,6R)-4-(4-methoxyphenyl)-6-phenyl-2-thioxo-hexahydropyrimidin-4-yl]phenyl] acetate CAS Name: acetic acid [3-acetyloxy-4-[(4S,6R)-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]phenyl] ester IUPAC Name: [3-acetyloxy-4-[(4S,6R)-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,3-diazinan-4-yl]phenyl] acetate Traditional Name: acetic acid [3-acetoxy-4-[(4S,6R)-4-(4-methoxyphenyl)-6-phenyl-2-thioxo-hexahydropyrimidin-4-yl]phenyl] ester Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C2(CC(NC(=S)N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)[C@]2(C[C@@H](NC(=S)N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC)OC(=O)C

InChI

InChI=1S/C27H26N2O5S/c1-17(30)33-22-13-14-23(25(15-22)34-18(2)31)27(20-9-11-21(32-3)12-10-20)16-24(28-26(35)29-27)19-7-5-4-6-8-19/h4-15,24H,16H2,1-3H3,(H2,28,29,35)/t24-,27+/m1/s1