[2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 3-acetamidobenzoate

Systemtic Name: [2-oxidanylidene-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 3-acetamidobenzoate Openeye Name: [2-oxo-2-[(2S)-2-(2-thienyl)pyrrolidin-1-yl]ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-oxo-2-[(2S)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl] ester IUPAC Name: [2-oxo-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-keto-2-[(2S)-2-(2-thienyl)pyrrolidino]ethyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCCC2C3=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)N2CCC[C@H]2C3=CC=CS3

InChI

InChI=1S/C19H20N2O4S/c1-13(22)20-15-6-2-5-14(11-15)19(24)25-12-18(23)21-9-3-7-16(21)17-8-4-10-26-17/h2,4-6,8,10-11,16H,3,7,9,12H2,1H3,(H,20,22)/t16-/m0/s1