(2-chloranyl-4-cyano-phenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: (2-chloro-4-cyano-phenyl) 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate CAS Name: 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Traditional Name: 1-keto-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid (2-chloro-4-cyano-phenyl) ester Formula: C18H11ClN2O3S MolecularWeight: 370.80954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=C(C=C(C=C4)C#N)Cl

Isomeric SMILES

C1CC2(N(C1=O)C3=CC=CC=C3S2)C(=O)OC4=C(C=C(C=C4)C#N)Cl

InChI

InChI=1S/C18H11ClN2O3S/c19-12-9-11(10-20)5-6-14(12)24-17(23)18-8-7-16(22)21(18)13-3-1-2-4-15(13)25-18/h1-6,9H,7-8H2