cyclohexylmethyl (3aR)-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate

Systemtic Name: cyclohexylmethyl (3aR)-1-oxidanylidene-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: cyclohexylmethyl (3aR)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate CAS Name: (3aR)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl (3aR)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Traditional Name: (3aR)-1-keto-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid cyclohexylmethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C23CCC(=O)N2C4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)COC(=O)[C@]23CCC(=O)N2C4=CC=CC=C4S3

InChI

InChI=1S/C18H21NO3S/c20-16-10-11-18(17(21)22-12-13-6-2-1-3-7-13)19(16)14-8-4-5-9-15(14)23-18/h4-5,8-9,13H,1-3,6-7,10-12H2/t18-/m1/s1