5-(oxolan-2-ylmethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 5-(oxolan-2-ylmethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-(phenylsulfanylmethyl)-5-(tetrahydrofuran-2-ylmethylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 5-[oxo-(2-oxolanylmethylamino)methyl]-3-[(phenylthio)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 5-(oxolan-2-ylmethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[(phenylthio)methyl]-5-(tetrahydrofurfurylcarbamoyl)isoxazole-4-carboxylic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=C(C(=NO2)CSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S/c20-16(18-9-11-5-4-8-23-11)15-14(17(21)22)13(19-24-15)10-25-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,18,20)(H,21,22)