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

Systemtic Name: 3-[4,6-bis(oxidanylidene)-5-[(2-prop-2-enoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[5-[(2-allyloxy-1-naphthyl)methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[4,6-dioxo-5-[(2-prop-2-enoxy-1-naphthalenyl)methylidene]-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[4,6-dioxo-5-[(2-prop-2-enoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[5-[(2-allyloxy-1-naphthyl)methylene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C=CCOC1=C(C2=CC=CC=C2C=C1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H18N2O5S/c1-2-12-32-21-11-10-15-6-3-4-9-18(15)19(21)14-20-22(28)26-25(33)27(23(20)29)17-8-5-7-16(13-17)24(30)31/h2-11,13-14H,1,12H2,(H,30,31)(H,26,28,33)