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

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-7-ethanoyl-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoic acid Openeye Name: 2-[7-acetyl-1-(2,2-dimethylpropyl)-5-(1-naphthyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid CAS Name: 2-[7-acetyl-1-(2,2-dimethylpropyl)-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid IUPAC Name: 2-[7-acetyl-1-(2,2-dimethylpropyl)-5-naphthalen-1-yl-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid Traditional Name: 2-[7-acetyl-2-keto-5-(1-naphthyl)-1-neopentyl-5H-4,1-benzothiazepin-3-yl]acetic acid Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4S/c1-17(30)19-12-13-23-22(14-19)26(21-11-7-9-18-8-5-6-10-20(18)21)34-24(15-25(31)32)27(33)29(23)16-28(2,3)4/h5-14,24,26H,15-16H2,1-4H3,(H,31,32)