propan-2-yl 2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate

Systemtic Name: propan-2-yl 2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate Openeye Name: isopropyl 2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate CAS Name: 2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-sulfanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylate Traditional Name: 2-thioxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazole-3-carboxylic acid isopropyl ester Formula: C11H17NO2S2 MolecularWeight: 259.38818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)N1C2CCCCC2SC1=S

Isomeric SMILES

CC(C)OC(=O)N1C2CCCCC2SC1=S

InChI

InChI=1S/C11H17NO2S2/c1-7(2)14-10(13)12-8-5-3-4-6-9(8)16-11(12)15/h7-9H,3-6H2,1-2H3