tert-butyl N-(7-bromanyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(7-bromanyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamate Openeye Name: tert-butyl N-(7-bromo-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamate CAS Name: N-(7-bromo-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(7-bromo-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamate Traditional Name: N-(7-bromo-4-keto-3,5-dihydro-2H-1,5-benzothiazepin-3-yl)carbamic acid tert-butyl ester Formula: C14H17BrN2O3S MolecularWeight: 373.26538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSC2=C(C=C(C=C2)Br)NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)NC1CSC2=C(C=C(C=C2)Br)NC1=O

InChI

InChI=1S/C14H17BrN2O3S/c1-14(2,3)20-13(19)17-10-7-21-11-5-4-8(15)6-9(11)16-12(10)18/h4-6,10H,7H2,1-3H3,(H,16,18)(H,17,19)