2-(5-ethoxycarbonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid

Systemtic Name: 2-(5-ethoxycarbonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid Openeye Name: 2-(5-ethoxycarbonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid CAS Name: 2-(5-ethoxycarbonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid IUPAC Name: 2-(5-ethoxycarbonyl-1,3-benzoxazol-2-yl)ethanethioic S-acid Traditional Name: 2-(5-carbethoxy-1,3-benzoxazol-2-yl)thioacetic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(=N2)CC(=O)S

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC(=N2)CC(=O)S

InChI

InChI=1S/C12H11NO4S/c1-2-16-12(15)7-3-4-9-8(5-7)13-10(17-9)6-11(14)18/h3-5H,2,6H2,1H3,(H,14,18)