2-(4-chlorophenyl)sulfanylethyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCCSC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCCSC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C13H13ClN2O3S/c1-8-11(12(15)19-16-8)13(17)18-6-7-20-10-4-2-9(14)3-5-10/h2-5H,6-7,15H2,1H3