2-(7-methyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(7-methyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2-isopropyl-7-methyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-(7-methyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid IUPAC Name: 2-(7-methyl-2-propan-2-yl-3-sulfanylidene-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(2-isopropyl-7-methyl-3-thioxo-1,4-benzoxazin-4-yl)acetic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=S)C(O2)C(C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=S)C(O2)C(C)C)CC(=O)O

InChI

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