methyl (2S)-1-[[2-(furan-2-ylcarbonylamino)-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-5-yl]carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[2-(furan-2-ylcarbonylamino)-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-5-yl]carbonyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-(furan-2-carbonylamino)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-[[2-furanyl(oxo)methyl]amino]-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-5-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-(furan-2-carbonylamino)-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(2-furoylamino)-7-keto-5,6-dihydro-4H-1,3-benzothiazole-5-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CC=CO4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C19H19N3O6S/c1-27-18(26)12-4-2-6-22(12)17(25)10-8-11-15(13(23)9-10)29-19(20-11)21-16(24)14-5-3-7-28-14/h3,5,7,10,12H,2,4,6,8-9H2,1H3,(H,20,21,24)/t10?,12-/m0/s1