4-[6-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid

Systemtic Name: 4-[6-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid Openeye Name: 4-[6-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-2-thioxo-1,3-thiazin-3-yl]butanoic acid CAS Name: 4-[6-(3-ethoxy-4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid IUPAC Name: 4-[6-(3-ethoxy-4-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazin-3-yl]butanoic acid Traditional Name: 4-[6-(3-ethoxy-4-hydroxy-phenyl)-4-keto-2-thioxo-1,3-thiazin-3-yl]butyric acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC(=O)N(C(=S)S2)CCCC(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC(=O)N(C(=S)S2)CCCC(=O)O)O

InChI

InChI=1S/C16H17NO5S2/c1-2-22-12-8-10(5-6-11(12)18)13-9-14(19)17(16(23)24-13)7-3-4-15(20)21/h5-6,8-9,18H,2-4,7H2,1H3,(H,20,21)