1-iodanyl-6,7-dimethyl-8-(2-methylpropyl)-5H-thieno[3,4-b][1,5]benzothiazepin-4-one

Systemtic Name: 1-iodanyl-6,7-dimethyl-8-(2-methylpropyl)-5H-thieno[3,4-b][1,5]benzothiazepin-4-one Openeye Name: 1-iodo-8-isobutyl-6,7-dimethyl-5H-thieno[3,4-b][1,5]benzothiazepin-4-one CAS Name: 1-iodo-6,7-dimethyl-8-(2-methylpropyl)-5H-thieno[3,4-b][1,5]benzothiazepin-4-one IUPAC Name: 1-iodo-6,7-dimethyl-8-(2-methylpropyl)-5H-thieno[3,4-b][1,5]benzothiazepin-4-one Traditional Name: 1-iodo-8-isobutyl-6,7-dimethyl-5H-thieno[3,4-b][1,5]benzothiazepin-4-one Formula: C17H18INOS2 MolecularWeight: 443.36539

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1CC(C)C)SC3=C(SC=C3C(=O)N2)I)C

Isomeric SMILES

CC1=C(C2=C(C=C1CC(C)C)SC3=C(SC=C3C(=O)N2)I)C

InChI

InChI=1S/C17H18INOS2/c1-8(2)5-11-6-13-14(10(4)9(11)3)19-17(20)12-7-21-16(18)15(12)22-13/h6-8H,5H2,1-4H3,(H,19,20)