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

Systemtic Name: [2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl] ester IUPAC Name: [2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)NC2CCN(C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-27-19-10-6-5-9-18(19)21(25)26-15-20(24)22-17-11-12-23(14-17)13-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H,22,24)