[(1R)-1-cyanoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinic acid [(1R)-1-cyanoethyl] ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15N3O5S/c1-11(8-19)26-18(23)13-3-2-6-20-17(13)27-9-16(22)21-12-4-5-14-15(7-12)25-10-24-14/h2-7,11H,9-10H2,1H3,(H,21,22)/t11-/m1/s1