4-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-3-sulfanylidene-4H-1,4-benzoxazin-6-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methyl-3-thioxo-4H-1,4-benzoxazin-6-yl)butyric acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

CC1C(=S)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H13NO4S/c1-7-13(19)14-9-6-8(2-4-11(9)18-7)10(15)3-5-12(16)17/h2,4,6-7H,3,5H2,1H3,(H,14,19)(H,16,17)