1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-(1-naphthyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[1-(2,2-dimethylpropyl)-7-methoxy-5-naphthalen-1-yl-2-oxo-5H-4,1-benzothiazepin-3-yl]acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[2-keto-7-methoxy-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzothiazepin-3-yl]acetyl]isonipecotic acid Formula: C33H38N2O5S MolecularWeight: 574.73022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)OC)C(SC(C1=O)CC(=O)N3CCC(CC3)C(=O)O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)OC)C(SC(C1=O)CC(=O)N3CCC(CC3)C(=O)O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C33H38N2O5S/c1-33(2,3)20-35-27-13-12-23(40-4)18-26(27)30(25-11-7-9-21-8-5-6-10-24(21)25)41-28(31(35)37)19-29(36)34-16-14-22(15-17-34)32(38)39/h5-13,18,22,28,30H,14-17,19-20H2,1-4H3,(H,38,39)