3-[5-[(Z)-[1-(3-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid

Systemtic Name: 3-[5-[(Z)-[1-(3-ethoxyphenyl)-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Openeye Name: 3-[5-[(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene]methyl]-2-furyl]benzoic acid CAS Name: 3-[5-[(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-furanyl]benzoic acid IUPAC Name: 3-[5-[(Z)-[1-(3-ethoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid Traditional Name: 3-[5-[(Z)-(4,6-diketo-1-m-phenetyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid Formula: C24H18N2O6S MolecularWeight: 462.47452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)C(=O)NC2=S

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C(=O)/C(=C\C3=CC=C(O3)C4=CC(=CC=C4)C(=O)O)/C(=O)NC2=S

InChI

InChI=1S/C24H18N2O6S/c1-2-31-17-8-4-7-16(12-17)26-22(28)19(21(27)25-24(26)33)13-18-9-10-20(32-18)14-5-3-6-15(11-14)23(29)30/h3-13H,2H2,1H3,(H,29,30)(H,25,27,33)/b19-13-