6-bromanyl-3-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate

Systemtic Name: 6-bromanyl-3-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Openeye Name: 3-allyl-6-bromo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate CAS Name: 6-bromo-3-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate IUPAC Name: 6-bromo-3-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Traditional Name: 3-allyl-6-bromo-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Formula: C10H16BrNO2S MolecularWeight: 294.20854

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2CCC(CC2SC1=O)Br.O

Isomeric SMILES

C=CCN1C2CCC(CC2SC1=O)Br.O

InChI

InChI=1S/C10H14BrNOS.H2O/c1-2-5-12-8-4-3-7(11)6-9(8)14-10(12)13;/h2,7-9H,1,3-6H2;1H2