N-(3-fluorophenyl)-2-[2-(furan-2-yl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide

Systemtic Name: N-(3-fluorophenyl)-2-[2-(furan-2-yl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(3-fluorophenyl)-2-[2-(2-furyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(3-fluorophenyl)-2-[2-(2-furanyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(3-fluorophenyl)-2-[2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-(3-fluorophenyl)-2-[2-(2-furyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=CC=C3)F)C4=CC=CO4

Isomeric SMILES

C1C(SC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC(=CC=C3)F)C4=CC=CO4

InChI

InChI=1S/C21H17FN2O3S/c22-14-5-3-6-15(11-14)23-20(25)13-24-16-7-1-2-9-18(16)28-19(12-21(24)26)17-8-4-10-27-17/h1-11,19H,12-13H2,(H,23,25)