3-ethanoyl-2-(4-methoxyphenyl)-5-(3-oxidanylidenebutyl)-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: 3-ethanoyl-2-(4-methoxyphenyl)-5-(3-oxidanylidenebutyl)-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: 3-acetyl-2-(4-methoxyphenyl)-5-(3-oxobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: 3-acetyl-2-(4-methoxyphenyl)-5-(3-oxobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: 3-acetyl-2-(4-methoxyphenyl)-5-(3-oxobutyl)-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: 3-acetyl-5-(3-ketobutyl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C2=CC=CC=C2SC(C(C1=O)C(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)CCN1C2=CC=CC=C2SC(C(C1=O)C(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23NO4S/c1-14(24)12-13-23-18-6-4-5-7-19(18)28-21(20(15(2)25)22(23)26)16-8-10-17(27-3)11-9-16/h4-11,20-21H,12-13H2,1-3H3