tert-butyl 7-cyano-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-cyano-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-cyano-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-cyano-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-cyano-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-cyano-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC2=C(C1)C=C(C=C2)C#N

InChI

InChI=1S/C15H18N2O2S/c1-15(2,3)19-14(18)17-6-7-20-13-5-4-11(9-16)8-12(13)10-17/h4-5,8H,6-7,10H2,1-3H3