heptyl 2-(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: heptyl 2-(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: heptyl 2-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetate CAS Name: 2-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid heptyl ester IUPAC Name: heptyl 2-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetate Traditional Name: 2-(2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)acetic acid heptyl ester Formula: C16H27NO3S MolecularWeight: 313.45548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)CN1C2CCCCC2SC1=O

Isomeric SMILES

CCCCCCCOC(=O)CN1C2CCCCC2SC1=O

InChI

InChI=1S/C16H27NO3S/c1-2-3-4-5-8-11-20-15(18)12-17-13-9-6-7-10-14(13)21-16(17)19/h13-14H,2-12H2,1H3