(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCC3)NC

InChI

InChI=1S/C18H21N3O3S/c1-12-14(16(19-2)25-20-12)18(23)24-15(13-8-4-3-5-9-13)17(22)21-10-6-7-11-21/h3-5,8-9,15,19H,6-7,10-11H2,1-2H3