[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)N

InChI

InChI=1S/C15H17N3O4S/c1-10-13(14(16)22-18-10)15(20)21-9-12(19)17-7-8-23-11-5-3-2-4-6-11/h2-6H,7-9,16H2,1H3,(H,17,19)