[2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

InChI

InChI=1S/C16H20N2O4S/c1-16(2,3)18-14(20)9-22-15(21)10-4-5-12-11(8-10)17-13(19)6-7-23-12/h4-5,8H,6-7,9H2,1-3H3,(H,17,19)(H,18,20)