ethyl 2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylacetate Traditional Name: 2-[[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C12H19N3O3S MolecularWeight: 285.36256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=CC=NN1C(C)C

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=CC=NN1C(C)C

InChI

InChI=1S/C12H19N3O3S/c1-4-18-12(17)8-19-7-11(16)14-10-5-6-13-15(10)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,16)