3-[4-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)butanoylamino]benzoic acid

Systemtic Name: 3-[4-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)butanoylamino]benzoic acid Openeye Name: 3-[4-(4-oxo-6-phenyl-2-thioxo-1,3-thiazin-3-yl)butanoylamino]benzoic acid CAS Name: 3-[[1-oxo-4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)butyl]amino]benzoic acid IUPAC Name: 3-[4-(4-oxo-6-phenyl-2-sulfanylidene-1,3-thiazin-3-yl)butanoylamino]benzoic acid Traditional Name: 3-[4-(4-keto-6-phenyl-2-thioxo-1,3-thiazin-3-yl)butanoylamino]benzoic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N(C(=S)S2)CCCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H18N2O4S2/c24-18(22-16-9-4-8-15(12-16)20(26)27)10-5-11-23-19(25)13-17(29-21(23)28)14-6-2-1-3-7-14/h1-4,6-9,12-13H,5,10-11H2,(H,22,24)(H,26,27)