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

Systemtic Name: 4-[4-[6-(4-methoxyphenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]butanoylamino]benzoic acid Openeye Name: 4-[4-[6-(4-methoxyphenyl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]butanoylamino]benzoic acid CAS Name: 4-[[4-[6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 4-[4-[6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]butanoylamino]benzoic acid Traditional Name: 4-[4-[4-keto-6-(4-methoxyphenyl)-2-thioxo-1,3-thiazin-3-yl]butanoylamino]benzoic acid Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N(C(=S)S2)CCCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20N2O5S2/c1-29-17-10-6-14(7-11-17)18-13-20(26)24(22(30)31-18)12-2-3-19(25)23-16-8-4-15(5-9-16)21(27)28/h4-11,13H,2-3,12H2,1H3,(H,23,25)(H,27,28)