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

Systemtic Name: 3-[4,6-bis(oxidanylidene)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinan-1-yl]benzoic acid Openeye Name: 3-[4,6-dioxo-5-(3-thienylmethylene)-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid CAS Name: 3-[4,6-dioxo-2-sulfanylidene-5-(3-thiophenylmethylidene)-1,3-diazinan-1-yl]benzoic acid IUPAC Name: 3-[4,6-dioxo-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-diazinan-1-yl]benzoic acid Traditional Name: 3-[4,6-diketo-5-(3-thenylidene)-2-thioxo-hexahydropyrimidin-1-yl]benzoic acid Formula: C16H10N2O4S2 MolecularWeight: 358.3916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CSC=C3)C(=O)NC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C(=CC3=CSC=C3)C(=O)NC2=S)C(=O)O

InChI

InChI=1S/C16H10N2O4S2/c19-13-12(6-9-4-5-24-8-9)14(20)18(16(23)17-13)11-3-1-2-10(7-11)15(21)22/h1-8H,(H,21,22)(H,17,19,23)