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

Systemtic Name: 2-[7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxidanylidene-5H-4,1-benzothiazepin-3-yl]ethanoic acid Openeye Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-2-oxo-5H-4,1-benzothiazepin-3-yl]acetic acid Traditional Name: 2-[7-chloro-5-(2,3-dimethoxyphenyl)-2-keto-1-neopentyl-5H-4,1-benzothiazepin-3-yl]acetic acid Formula: C24H28ClNO5S MolecularWeight: 478.00082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(SC(C1=O)CC(=O)O)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC(C)(C)CN1C2=C(C=C(C=C2)Cl)C(SC(C1=O)CC(=O)O)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H28ClNO5S/c1-24(2,3)13-26-17-10-9-14(25)11-16(17)22(32-19(23(26)29)12-20(27)28)15-7-6-8-18(30-4)21(15)31-5/h6-11,19,22H,12-13H2,1-5H3,(H,27,28)