(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H13ClN2O4S MolecularWeight: 376.81412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1[C@H](COC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H13ClN2O4S/c18-13-1-2-14-11(6-13)5-12(7-22-14)17(21)23-8-15-19-16(20-24-15)10-3-4-25-9-10/h1-4,6,9,12H,5,7-8H2/t12-/m1/s1