[4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] 3-fluoranylbenzoate

Systemtic Name: [4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-phenyl] 3-fluoranylbenzoate Openeye Name: [4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C19H13FN2O5S MolecularWeight: 400.380323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)NC2=O)OC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C19H13FN2O5S/c1-26-15-8-10(7-13-16(23)21-19(28)22-17(13)24)5-6-14(15)27-18(25)11-3-2-4-12(20)9-11/h2-9H,1H3,(H2,21,22,23,24,28)