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

Systemtic Name: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(isopropylcarbamoyl)isoxazole-4-carboxylic acid CAS Name: 3-[[(3-chlorophenyl)thio]methyl]-5-[oxo-(propan-2-ylamino)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-[(3-chlorophenyl)sulfanylmethyl]-5-(propan-2-ylcarbamoyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-[[(3-chlorophenyl)thio]methyl]-5-(isopropylcarbamoyl)isoxazole-4-carboxylic acid Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC(=CC=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=C(C(=NO1)CSC2=CC(=CC=C2)Cl)C(=O)O

InChI

InChI=1S/C15H15ClN2O4S/c1-8(2)17-14(19)13-12(15(20)21)11(18-22-13)7-23-10-5-3-4-9(16)6-10/h3-6,8H,7H2,1-2H3,(H,17,19)(H,20,21)