N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(2-oxidanylidenechromen-7-yl)oxy-ethanamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(2-oxidanylidenechromen-7-yl)oxy-ethanamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-(2-oxochromen-7-yl)oxy-acetamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-[(2-oxo-1-benzopyran-7-yl)oxy]acetamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-(2-ketochromen-7-yl)oxy-acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

Isomeric SMILES

C1CCCN(CC1)CC2=CSC(=N2)NC(=O)COC3=CC4=C(C=C3)C=CC(=O)O4

InChI

InChI=1S/C21H23N3O4S/c25-19(13-27-17-7-5-15-6-8-20(26)28-18(15)11-17)23-21-22-16(14-29-21)12-24-9-3-1-2-4-10-24/h5-8,11,14H,1-4,9-10,12-13H2,(H,22,23,25)