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

Systemtic Name: 3-[5-[[3-chloranyl-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[[3-chloro-5-ethoxy-4-[(4-iodophenyl)methoxy]phenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[3-chloro-5-ethoxy-4-(4-iodobenzyl)oxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C27H20ClIN2O6S MolecularWeight: 662.87997

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

Isomeric SMILES

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

InChI

InChI=1S/C27H20ClIN2O6S/c1-2-36-22-12-16(11-21(28)23(22)37-14-15-6-8-18(29)9-7-15)10-20-24(32)30-27(38)31(25(20)33)19-5-3-4-17(13-19)26(34)35/h3-13H,2,14H2,1H3,(H,34,35)(H,30,32,38)