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

Systemtic Name: 3-[5-[[3-ethoxy-5-iodanyl-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-ethoxy-5-iodo-4-(p-tolylmethoxy)phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-ethoxy-5-iodo-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-ethoxy-5-iodo-4-(4-methylbenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C28H23IN2O6S MolecularWeight: 642.46149

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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=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C28H23IN2O6S/c1-3-36-23-13-18(12-22(29)24(23)37-15-17-9-7-16(2)8-10-17)11-21-25(32)30-28(38)31(26(21)33)20-6-4-5-19(14-20)27(34)35/h4-14H,3,15H2,1-2H3,(H,34,35)(H,30,32,38)