2-[(2-oxidanylidenethiolan-3-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(2-oxidanylidenethiolan-3-yl)carbamoyl]benzoic acid Openeye Name: 2-[(2-oxotetrahydrothiophen-3-yl)carbamoyl]benzoic acid CAS Name: 2-[oxo-[(2-oxo-3-thiolanyl)amino]methyl]benzoic acid IUPAC Name: 2-[(2-oxothiolan-3-yl)carbamoyl]benzoic acid Traditional Name: 2-[(2-ketotetrahydrothiophen-3-yl)carbamoyl]benzoic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CSC(=O)C1NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H11NO4S/c14-10(13-9-5-6-18-12(9)17)7-3-1-2-4-8(7)11(15)16/h1-4,9H,5-6H2,(H,13,14)(H,15,16)