3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodanyl-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-5-iodanyl-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-5-iodo-phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[4-(2,4-dichlorobenzyl)oxy-3-ethoxy-5-iodo-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C27H19Cl2IN2O6S MolecularWeight: 697.32503

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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)I)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)I)OCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H19Cl2IN2O6S/c1-2-37-22-10-14(9-21(30)23(22)38-13-16-6-7-17(28)12-20(16)29)8-19-24(33)31-27(39)32(25(19)34)18-5-3-4-15(11-18)26(35)36/h3-12H,2,13H2,1H3,(H,35,36)(H,31,33,39)