methyl 1-oxidanylidene-2,3,4a,8a-tetrahydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2,3,4a,8a-tetrahydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Openeye Name: methyl 1-oxo-2,3,4a,8a-tetrahydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate CAS Name: 1-oxo-2,3,4a,8a-tetrahydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2,3,4a,8a-tetrahydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylate Traditional Name: 1-keto-2,3,4a,8a-tetrahydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxylic acid methyl ester Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CCC(=O)N1C3C=CC=CC3S2

Isomeric SMILES

COC(=O)C12CCC(=O)N1C3C=CC=CC3S2

InChI

InChI=1S/C12H13NO3S/c1-16-11(15)12-7-6-10(14)13(12)8-4-2-3-5-9(8)17-12/h2-5,8-9H,6-7H2,1H3