(3R)-6-methyl-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-8-nitro-2H-chromen-4-one

Systemtic Name: (3R)-6-methyl-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-8-nitro-2H-chromen-4-one Openeye Name: (3R)-6-methyl-3-(morpholinomethyl)-8-nitro-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-6-methyl-3-[(4-methylphenyl)thio]-3-(4-morpholinylmethyl)-8-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-6-methyl-3-(4-methylphenyl)sulfanyl-3-(morpholin-4-ylmethyl)-8-nitro-2H-chromen-4-one Traditional Name: (3R)-6-methyl-3-(morpholinomethyl)-8-nitro-3-(p-tolylthio)chroman-4-one Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(COC3=C(C=C(C=C3C2=O)C)[N+](=O)[O-])CN4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@]2(COC3=C(C=C(C=C3C2=O)C)[N+](=O)[O-])CN4CCOCC4

InChI

InChI=1S/C22H24N2O5S/c1-15-3-5-17(6-4-15)30-22(13-23-7-9-28-10-8-23)14-29-20-18(21(22)25)11-16(2)12-19(20)24(26)27/h3-6,11-12H,7-10,13-14H2,1-2H3/t22-/m1/s1