2-[1-(2,2-dimethylpropyl)-7-methyl-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-7-methyl-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoic acid Openeye Name: 2-[1-(2,2-dimethylpropyl)-7-methyl-5-(1-naphthyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid CAS Name: 2-[1-(2,2-dimethylpropyl)-7-methyl-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid IUPAC Name: 2-[1-(2,2-dimethylpropyl)-7-methyl-5-naphthalen-1-yl-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid Traditional Name: 2-[2-keto-7-methyl-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzothiazepin-3-yl]acetic acid Formula: C27H29NO3S MolecularWeight: 447.58906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(SC2C3=CC=CC4=CC=CC=C43)CC(=O)O)CC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(SC2C3=CC=CC4=CC=CC=C43)CC(=O)O)CC(C)(C)C

InChI

InChI=1S/C27H29NO3S/c1-17-12-13-22-21(14-17)25(20-11-7-9-18-8-5-6-10-19(18)20)32-23(15-24(29)30)26(31)28(22)16-27(2,3)4/h5-14,23,25H,15-16H2,1-4H3,(H,29,30)