[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4H-thieno[3,2-c]chromene-2-carboxylate CAS Name: 4H-thieno[3,2-c][1]benzopyran-2-carboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4H-thieno[3,2-c]chromene-2-carboxylate Traditional Name: 4H-thieno[3,2-c]chromene-2-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C21H23NO4S/c1-14(20(23)22-10-6-2-3-7-11-22)26-21(24)18-12-15-13-25-17-9-5-4-8-16(17)19(15)27-18/h4-5,8-9,12,14H,2-3,6-7,10-11,13H2,1H3/t14-/m1/s1