2-(4-ethanoylphenyl)-3-iodanyl-5-methyl-1,5-benzothiazepin-4-one

Systemtic Name: 2-(4-ethanoylphenyl)-3-iodanyl-5-methyl-1,5-benzothiazepin-4-one Openeye Name: 2-(4-acetylphenyl)-3-iodo-5-methyl-1,5-benzothiazepin-4-one CAS Name: 2-(4-acetylphenyl)-3-iodo-5-methyl-1,5-benzothiazepin-4-one IUPAC Name: 2-(4-acetylphenyl)-3-iodo-5-methyl-1,5-benzothiazepin-4-one Traditional Name: 2-(4-acetylphenyl)-3-iodo-5-methyl-1,5-benzothiazepin-4-one Formula: C18H14INO2S MolecularWeight: 435.27873

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=C(C(=O)N(C3=CC=CC=C3S2)C)I

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=C(C(=O)N(C3=CC=CC=C3S2)C)I

InChI

InChI=1S/C18H14INO2S/c1-11(21)12-7-9-13(10-8-12)17-16(19)18(22)20(2)14-5-3-4-6-15(14)23-17/h3-10H,1-2H3