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

Systemtic Name: 3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C27H20Cl2N2O6S MolecularWeight: 571.4285

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H20Cl2N2O6S/c1-2-36-23-11-15(6-9-22(23)37-14-17-7-8-18(28)13-21(17)29)10-20-24(32)30-27(38)31(25(20)33)19-5-3-4-16(12-19)26(34)35/h3-13H,2,14H2,1H3,(H,34,35)(H,30,32,38)