tert-butyl 1,1-bis(oxidanylidene)-3,5-dihydro-2H-1$l^{6},4-benzothiazepine-4-carboxylate

Systemtic Name: tert-butyl 1,1-bis(oxidanylidene)-3,5-dihydro-2H-1$l^{6},4-benzothiazepine-4-carboxylate Openeye Name: tert-butyl 1,1-dioxo-3,5-dihydro-2H-1$l^{6},4-benzothiazepine-4-carboxylate CAS Name: 1,1-dioxo-3,5-dihydro-2H-1$l^{6},4-benzothiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,1-dioxo-3,5-dihydro-2H-1$l^{6},4-benzothiazepine-4-carboxylate Traditional Name: 1,1-diketo-3,5-dihydro-2H-1$l^{6},4-benzothiazepine-4-carboxylic acid tert-butyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCS(=O)(=O)C2=CC=CC=C2C1

Isomeric SMILES

CC(C)(C)OC(=O)N1CCS(=O)(=O)C2=CC=CC=C2C1

InChI

InChI=1S/C14H19NO4S/c1-14(2,3)19-13(16)15-8-9-20(17,18)12-7-5-4-6-11(12)10-15/h4-7H,8-10H2,1-3H3