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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)SCCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)SCCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21NO4S/c1-11(18)20-13-5-6-14-12(9-13)10-17(7-8-22-14)15(19)21-16(2,3)4/h5-6,9H,7-8,10H2,1-4H3