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

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-ethoxy-benzoic acid Openeye Name: 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-benzoic acid CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxybenzoic acid IUPAC Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-ethoxybenzoic acid Traditional Name: 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-ethoxy-benzoic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)C(=O)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)C(=O)O

InChI

InChI=1S/C14H12N2O5S/c1-2-21-10-4-3-7(5-8(10)13(19)20)6-9-11(17)15-14(22)16-12(9)18/h3-6H,2H2,1H3,(H,19,20)(H2,15,16,17,18,22)