(phenylmethyl) 2-[2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylethanoyl]pyrazolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylethanoyl]pyrazolidine-1-carboxylate Openeye Name: benzyl 2-[2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanylacetyl]pyrazolidine-1-carboxylate CAS Name: 2-[1-oxo-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]ethyl]-1-pyrazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetyl]pyrazolidine-1-carboxylate Traditional Name: 2-[2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetyl]pyrazolidine-1-carboxylic acid benzyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

C1CN(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C20H22N4O4S/c25-18(22-17-9-4-5-10-21-17)14-29-15-19(26)23-11-6-12-24(23)20(27)28-13-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,21,22,25)