N-(furan-2-ylmethyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide

Systemtic Name: N-(furan-2-ylmethyl)-3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Openeye Name: N-(2-furylmethyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide CAS Name: N-(2-furanylmethyl)-3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanamide IUPAC Name: N-(furan-2-ylmethyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide Traditional Name: N-(2-furfuryl)-3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)N=CC=C3)CCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)N=CC=C3)CCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C20H17N3O3S/c24-18(22-13-14-5-4-12-26-14)9-11-23-16-7-3-10-21-19(16)27-17-8-2-1-6-15(17)20(23)25/h1-8,10,12H,9,11,13H2,(H,22,24)