4-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]phthalic acid

Systemtic Name: 4-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]phthalic acid Openeye Name: 4-[(2-thioxooxazolidin-3-yl)methyl]phthalic acid CAS Name: 4-[(2-sulfanylidene-3-oxazolidinyl)methyl]phthalic acid IUPAC Name: 4-[(2-sulfanylidene-1,3-oxazolidin-3-yl)methyl]phthalic acid Traditional Name: 4-[(2-thioxooxazolidin-3-yl)methyl]phthalic acid Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=S)N1CC2=CC(=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1COC(=S)N1CC2=CC(=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO5S/c14-10(15)8-2-1-7(5-9(8)11(16)17)6-13-3-4-18-12(13)19/h1-2,5H,3-4,6H2,(H,14,15)(H,16,17)