2-(2-butan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(2-butan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2-sec-butyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(2-butan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(2-butan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(2-sec-butyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=S)N(C2=CC=CC=C2O1)CC(=O)O

Isomeric SMILES

CCC(C)C1C(=S)N(C2=CC=CC=C2O1)CC(=O)O

InChI

InChI=1S/C14H17NO3S/c1-3-9(2)13-14(19)15(8-12(16)17)10-6-4-5-7-11(10)18-13/h4-7,9,13H,3,8H2,1-2H3,(H,16,17)