5-isothiocyanato-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one

Systemtic Name: 5-isothiocyanato-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Openeye Name: 5-isothiocyanato-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one CAS Name: 5-isothiocyanato-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one IUPAC Name: 5-isothiocyanato-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Traditional Name: 5-isothiocyanato-3-methyl-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one Formula: C9H12N2O2S MolecularWeight: 212.26878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CC(CCC2OC1=O)N=C=S

Isomeric SMILES

CN1C2CC(CCC2OC1=O)N=C=S

InChI

InChI=1S/C9H12N2O2S/c1-11-7-4-6(10-5-14)2-3-8(7)13-9(11)12/h6-8H,2-4H2,1H3