3-[5-[[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[[4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[4-[2-(4-fluoroanilino)-2-oxo-ethoxy]-3-methoxy-phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[4-[2-(4-fluoroanilino)-2-keto-ethoxy]-3-methoxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C27H20FN3O7S MolecularWeight: 549.527003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H20FN3O7S/c1-37-22-12-15(5-10-21(22)38-14-23(32)29-18-8-6-17(28)7-9-18)11-20-24(33)30-27(39)31(25(20)34)19-4-2-3-16(13-19)26(35)36/h2-13H,14H2,1H3,(H,29,32)(H,35,36)(H,30,33,39)