N-(furan-2-ylmethyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-furylmethyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-furanylmethyl)-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-furfuryl)-2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C20H23N3O5S2 MolecularWeight: 449.54372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H23N3O5S2/c24-19(21-13-15-4-3-10-28-15)14-23-17-12-16(30(26,27)22-8-1-2-9-22)5-6-18(17)29-11-7-20(23)25/h3-6,10,12H,1-2,7-9,11,13-14H2,(H,21,24)