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

Systemtic Name: 3-cyanopropyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 3-cyanopropyl 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid 3-cyanopropyl ester Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSCC(=O)OCCCC#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSCC(=O)OCCCC#N

InChI

InChI=1S/C12H15N3O4S/c1-9-6-10(15-19-9)14-11(16)7-20-8-12(17)18-5-3-2-4-13/h6H,2-3,5,7-8H2,1H3,(H,14,15,16)