4-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]sulfanylchromen-2-one

Systemtic Name: 4-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]sulfanylchromen-2-one Openeye Name: 4-[(1R)-1-(4-nitrophenyl)-3-oxo-pentyl]sulfanylchromen-2-one CAS Name: 4-[[(1R)-1-(4-nitrophenyl)-3-oxopentyl]thio]-1-benzopyran-2-one IUPAC Name: 4-[(1R)-1-(4-nitrophenyl)-3-oxopentyl]sulfanylchromen-2-one Traditional Name: 4-[[(1R)-3-keto-1-(4-nitrophenyl)pentyl]thio]coumarin Formula: C20H17NO5S MolecularWeight: 383.41768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])SC2=CC(=O)OC3=CC=CC=C32

Isomeric SMILES

CCC(=O)C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])SC2=CC(=O)OC3=CC=CC=C32

InChI

InChI=1S/C20H17NO5S/c1-2-15(22)11-18(13-7-9-14(10-8-13)21(24)25)27-19-12-20(23)26-17-6-4-3-5-16(17)19/h3-10,12,18H,2,11H2,1H3/t18-/m1/s1