3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(isopropylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(3-ethoxyphenyl)thio]methyl]-5-[oxo-(propan-2-ylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(3-ethoxyphenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 5-(isopropylcarbamoyl)-3-[(m-phenetylthio)methyl]isoxazole-4-carboxylic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C

Isomeric SMILES

CCOC1=CC(=CC=C1)SCC2=NOC(=C2C(=O)O)C(=O)NC(C)C

InChI

InChI=1S/C17H20N2O5S/c1-4-23-11-6-5-7-12(8-11)25-9-13-14(17(21)22)15(24-19-13)16(20)18-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,18,20)(H,21,22)