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

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzoic acid CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxybenzoic acid IUPAC Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-methoxybenzoic acid Traditional Name: 5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-methoxy-benzoic acid Formula: C13H10N2O5S MolecularWeight: 306.2939

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)NC(=S)NC2=O)C(=O)O

InChI

InChI=1S/C13H10N2O5S/c1-20-9-3-2-6(4-7(9)12(18)19)5-8-10(16)14-13(21)15-11(8)17/h2-5H,1H3,(H,18,19)(H2,14,15,16,17,21)