3-tert-butyl-7-chloranyl-5-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-5H-4,1-benzothiazepin-2-one

Systemtic Name: 3-tert-butyl-7-chloranyl-5-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-5H-4,1-benzothiazepin-2-one Openeye Name: 3-tert-butyl-7-chloro-5-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-5H-4,1-benzothiazepin-2-one CAS Name: 3-tert-butyl-7-chloro-5-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-5H-4,1-benzothiazepin-2-one IUPAC Name: 3-tert-butyl-7-chloro-5-(2,4-dimethoxyphenyl)-1-(2,2-dimethylpropyl)-5H-4,1-benzothiazepin-2-one Traditional Name: 3-tert-butyl-7-chloro-5-(2,4-dimethoxyphenyl)-1-neopentyl-5H-4,1-benzothiazepin-2-one Formula: C26H34ClNO3S MolecularWeight: 476.07106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClNO3S/c1-25(2,3)15-28-20-12-9-16(27)13-19(20)22(32-23(24(28)29)26(4,5)6)18-11-10-17(30-7)14-21(18)31-8/h9-14,22-23H,15H2,1-8H3