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

Systemtic Name: [2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl] 5-azanyl-3-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-amino-3-methyl-isoxazole-4-carboxylate CAS Name: 5-amino-3-methyl-4-isoxazolecarboxylic acid [2-oxo-2-[3-(phenylthio)propylamino]ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylsulfanylpropylamino)ethyl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate Traditional Name: 5-amino-3-methyl-isoxazole-4-carboxylic acid [2-keto-2-[3-(phenylthio)propylamino]ethyl] ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)N

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NCCCSC2=CC=CC=C2)N

InChI

InChI=1S/C16H19N3O4S/c1-11-14(15(17)23-19-11)16(21)22-10-13(20)18-8-5-9-24-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10,17H2,1H3,(H,18,20)