tert-butyl N-[[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]methyl]carbamate CAS Name: N-[[4-[(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)phenyl]methyl]carbamate Traditional Name: N-[4-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)benzyl]carbamic acid tert-butyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O3S/c1-16-13-14-25(19-7-5-6-8-20(19)29-16)21(26)18-11-9-17(10-12-18)15-24-22(27)28-23(2,3)4/h5-12,16H,13-15H2,1-4H3,(H,24,27)