3-[5-[(3,4-diethoxy-5-prop-2-enyl-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Systemtic Name: 3-[5-[(3,4-diethoxy-5-prop-2-enyl-phenyl)methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(3-allyl-4,5-diethoxy-phenyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[5-[(3,4-diethoxy-5-prop-2-enylphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[5-[(3,4-diethoxy-5-prop-2-enylphenyl)methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-(3-allyl-4,5-diethoxy-benzylidene)-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H24N2O6S MolecularWeight: 480.53286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)CC=C)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H24N2O6S/c1-4-8-16-11-15(13-20(32-5-2)21(16)33-6-3)12-19-22(28)26-25(34)27(23(19)29)18-10-7-9-17(14-18)24(30)31/h4,7,9-14H,1,5-6,8H2,2-3H3,(H,30,31)(H,26,28,34)