tert-butyl 9-iodanyl-7-oxidanyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 9-iodanyl-7-oxidanyl-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 7-hydroxy-9-iodo-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate CAS Name: 7-hydroxy-9-iodo-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-hydroxy-9-iodo-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylate Traditional Name: 7-hydroxy-9-iodo-3,5-dihydro-2H-1,4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C14H18INO3S MolecularWeight: 407.26709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCSC2=C(C=C(C=C2C1)O)I

Isomeric SMILES

CC(C)(C)OC(=O)N1CCSC2=C(C=C(C=C2C1)O)I

InChI

InChI=1S/C14H18INO3S/c1-14(2,3)19-13(18)16-4-5-20-12-9(8-16)6-10(17)7-11(12)15/h6-7,17H,4-5,8H2,1-3H3