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

Systemtic Name: 3-[4,6-bis(oxidanylidene)-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[4,6-dioxo-2-thioxo-5-[(2,3,4-trimethoxyphenyl)methylene]hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[4,6-dioxo-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[4,6-dioxo-2-sulfanylidene-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[4,6-diketo-2-thioxo-5-(2,3,4-trimethoxybenzylidene)hexahydropyrimidin-1-yl]benzoic acid Formula: C21H18N2O7S MolecularWeight: 442.44182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC(=C3)C(=O)O)OC)OC

InChI

InChI=1S/C21H18N2O7S/c1-28-15-8-7-11(16(29-2)17(15)30-3)10-14-18(24)22-21(31)23(19(14)25)13-6-4-5-12(9-13)20(26)27/h4-10H,1-3H3,(H,26,27)(H,22,24,31)