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

Systemtic Name: 4-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-2-chloranyl-benzoic acid Openeye Name: 2-chloro-4-[5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid CAS Name: 2-chloro-4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoic acid IUPAC Name: 2-chloro-4-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoic acid Traditional Name: 2-chloro-4-[5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid Formula: C16H9ClN2O5S MolecularWeight: 376.77106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)Cl)C(=O)O

InChI

InChI=1S/C16H9ClN2O5S/c17-11-5-7(1-3-9(11)15(22)23)12-4-2-8(24-12)6-10-13(20)18-16(25)19-14(10)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)