[2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid [2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=C(N=CC=C3)N4CCCC4

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)COC(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C22H24N4O3S/c1-15(21-24-17-9-3-4-10-18(17)30-21)25(2)19(27)14-29-22(28)16-8-7-11-23-20(16)26-12-5-6-13-26/h3-4,7-11,15H,5-6,12-14H2,1-2H3/t15-/m0/s1