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

Systemtic Name: 3-[(5E)-5-[[4-(carboxymethyloxy)-3-ethoxy-5-prop-2-enyl-phenyl]methylidene]-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[(5E)-5-[[3-allyl-4-(carboxymethyloxy)-5-ethoxy-phenyl]methylene]-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[(5E)-5-[[4-(carboxymethyloxy)-3-ethoxy-5-prop-2-enylphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[(5E)-5-[[4-(carboxymethyloxy)-3-ethoxy-5-prop-2-enylphenyl]methylidene]-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[(5E)-5-[3-allyl-4-(carboxymethyloxy)-5-ethoxy-benzylidene]-4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C25H22N2O8S MolecularWeight: 510.51578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC(=O)O)CC=C)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H22N2O8S/c1-3-6-15-9-14(11-19(34-4-2)21(15)35-13-20(28)29)10-18-22(30)26-25(36)27(23(18)31)17-8-5-7-16(12-17)24(32)33/h3,5,7-12H,1,4,6,13H2,2H3,(H,28,29)(H,32,33)(H,26,30,36)/b18-10+