methyl 4-[5-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate Openeye Name: methyl 4-[5-[(4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 4-[5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid methyl ester Formula: C29H20N2O5S MolecularWeight: 508.5445

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H20N2O5S/c1-35-28(34)20-14-12-19(13-15-20)25-17-16-23(36-25)18-24-26(32)30(21-8-4-2-5-9-21)29(37)31(27(24)33)22-10-6-3-7-11-22/h2-18H,1H3