S-tert-butyl 7-methyl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carbothioate

Systemtic Name: S-tert-butyl 7-methyl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carbothioate Openeye Name: S-tert-butyl 7-methyl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carbothioate CAS Name: 7-methyl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carbothioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 7-methyl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carbothioate Traditional Name: 7-methyl-5,9,10,10a-tetrahydro-2H-pyrido[2,1-b][1,3]oxazepine-8-carbothioic acid S-tert-butyl ester Formula: C15H23NO2S MolecularWeight: 281.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC2N1CC=CCO2)C(=O)SC(C)(C)C

Isomeric SMILES

CC1=C(CCC2N1CC=CCO2)C(=O)SC(C)(C)C

InChI

InChI=1S/C15H23NO2S/c1-11-12(14(17)19-15(2,3)4)7-8-13-16(11)9-5-6-10-18-13/h5-6,13H,7-10H2,1-4H3