tert-butyl 8-ethanoyl-7-oxidanyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 8-ethanoyl-7-oxidanyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 8-acetyl-7-hydroxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 8-acetyl-7-hydroxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-acetyl-7-hydroxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 8-acetyl-7-hydroxy-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(CN(CCS2)C(=O)OC(C)(C)C)C=C1O

Isomeric SMILES

CC(=O)C1=CC2=C(CN(CCS2)C(=O)OC(C)(C)C)C=C1O

InChI

InChI=1S/C16H21NO4S/c1-10(18)12-8-14-11(7-13(12)19)9-17(5-6-22-14)15(20)21-16(2,3)4/h7-8,19H,5-6,9H2,1-4H3