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

Systemtic Name: N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[2-(2-furyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[2-(2-furanyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[2-(furan-2-yl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[2-(2-furyl)-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C23H21N3O4S/c1-15(27)24-16-8-10-17(11-9-16)25-22(28)14-26-18-5-2-3-7-20(18)31-21(13-23(26)29)19-6-4-12-30-19/h2-12,21H,13-14H2,1H3,(H,24,27)(H,25,28)