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

Systemtic Name: 5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-phenylmethoxy-benzoic acid Openeye Name: 2-benzyloxy-5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid CAS Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-phenylmethoxybenzoic acid IUPAC Name: 5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]benzoic acid Formula: C19H14N2O5S MolecularWeight: 382.38986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=C3C(=O)NC(=S)NC3=O)C(=O)O

InChI

InChI=1S/C19H14N2O5S/c22-16-14(17(23)21-19(27)20-16)9-12-6-7-15(13(8-12)18(24)25)26-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,24,25)(H2,20,21,22,23,27)