5-[[4-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[[4,6-bis(oxidanylidene)-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(4,6-dioxo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(4,6-dioxo-1,3-diphenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[(4,6-diketo-1,3-diphenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-phenoxy]methyl]-2-furoic acid Formula: C31H24N2O7S MolecularWeight: 568.59646

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=C(O5)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=C(O5)C(=O)O

InChI

InChI=1S/C31H24N2O7S/c1-2-38-27-18-20(13-15-25(27)39-19-23-14-16-26(40-23)30(36)37)17-24-28(34)32(21-9-5-3-6-10-21)31(41)33(29(24)35)22-11-7-4-8-12-22/h3-18H,2,19H2,1H3,(H,36,37)