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

Systemtic Name: propyl 3-(2-oxidanylidene-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanoate Openeye Name: propyl 3-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanoic acid propyl ester IUPAC Name: propyl 3-(2-oxo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-3-yl)propionic acid propyl ester Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCN1C2CCCCC2SC1=O

Isomeric SMILES

CCCOC(=O)CCN1C2CCCCC2SC1=O

InChI

InChI=1S/C13H21NO3S/c1-2-9-17-12(15)7-8-14-10-5-3-4-6-11(10)18-13(14)16/h10-11H,2-9H2,1H3