[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O3S/c1-27-19-17(8-5-10-21-19)20(25)26-14-18(24)22-16-9-11-23(13-16)12-15-6-3-2-4-7-15/h2-8,10,16H,9,11-14H2,1H3,(H,22,24)