[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl] ester Formula: C14H13BrN2O4S MolecularWeight: 385.23302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=NO1)NC(=O)COC(=O)CSC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H13BrN2O4S/c1-9-6-12(17-21-9)16-13(18)7-20-14(19)8-22-11-4-2-10(15)3-5-11/h2-6H,7-8H2,1H3,(H,16,17,18)