(3S,7aR)-7a-(4-bromophenyl)-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Systemtic Name: (3S,7aR)-7a-(4-bromophenyl)-5-oxidanylidene-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Openeye Name: (3S,7aR)-7a-(4-bromophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate CAS Name: (3S,7aR)-7a-(4-bromophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate IUPAC Name: (3S,7aR)-7a-(4-bromophenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate Traditional Name: (3S,7aR)-7a-(4-bromophenyl)-5-keto-2,3,6,7-tetrahydropyrrolo[2,1-b]thiazole-3-carboxylate Formula: C13H11BrNO3S- MolecularWeight: 341.20034

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(N(C1=O)C(CS2)C(=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@]2(N(C1=O)[C@H](CS2)C(=O)[O-])C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H12BrNO3S/c14-9-3-1-8(2-4-9)13-6-5-11(16)15(13)10(7-19-13)12(17)18/h1-4,10H,5-7H2,(H,17,18)/p-1/t10-,13-/m1/s1