3-(phenylcarbonyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate

Systemtic Name: 3-(phenylcarbonyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Openeye Name: 3-benzoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate CAS Name: 3-benzoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate IUPAC Name: 3-benzoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Traditional Name: 3-benzoyl-3a,4,5,6,7,7a-hexahydro-1,3-benzothiazol-2-one hydrate Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)N(C(=O)S2)C(=O)C3=CC=CC=C3.O

Isomeric SMILES

C1CCC2C(C1)N(C(=O)S2)C(=O)C3=CC=CC=C3.O

InChI

InChI=1S/C14H15NO2S.H2O/c16-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)18-14(15)17;/h1-3,6-7,11-12H,4-5,8-9H2;1H2