methyl 6-[2-[2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanylethanoyl]pyrazolidin-1-yl]carbonylpyridine-3-carboxylate Openeye Name: methyl 6-[2-[2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate CAS Name: 6-[oxo-[2-[1-oxo-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]ethyl]-1-pyrazolidinyl]methyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate Traditional Name: 6-[2-[2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetyl]pyrazolidine-1-carbonyl]nicotinic acid methyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CN=C(C=C1)C(=O)N2CCCN2C(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C20H21N5O5S/c1-30-20(29)14-6-7-15(22-11-14)19(28)25-10-4-9-24(25)18(27)13-31-12-17(26)23-16-5-2-3-8-21-16/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,21,23,26)