2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid Openeye Name: 2-[methyl(tetrahydrothiophen-3-yl)carbamoyl]benzoic acid CAS Name: 2-[[methyl(3-thiolanyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[methyl(thiolan-3-yl)carbamoyl]benzoic acid Traditional Name: 2-[methyl(tetrahydrothiophen-3-yl)carbamoyl]benzoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CN(C1CCSC1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-14(9-6-7-18-8-9)12(15)10-4-2-3-5-11(10)13(16)17/h2-5,9H,6-8H2,1H3,(H,16,17)