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

Systemtic Name: (3R)-3-(diethylaminomethyl)-6-methyl-3-(4-methylphenyl)sulfanyl-8-nitro-2H-chromen-4-one Openeye Name: (3R)-3-(diethylaminomethyl)-6-methyl-8-nitro-3-(p-tolylsulfanyl)chroman-4-one CAS Name: (3R)-3-(diethylaminomethyl)-6-methyl-3-[(4-methylphenyl)thio]-8-nitro-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3R)-3-(diethylaminomethyl)-6-methyl-3-(4-methylphenyl)sulfanyl-8-nitro-2H-chromen-4-one Traditional Name: (3R)-3-(diethylaminomethyl)-6-methyl-8-nitro-3-(p-tolylthio)chroman-4-one Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1(COC2=C(C=C(C=C2C1=O)C)[N+](=O)[O-])SC3=CC=C(C=C3)C

Isomeric SMILES

CCN(CC)C[C@]1(COC2=C(C=C(C=C2C1=O)C)[N+](=O)[O-])SC3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O4S/c1-5-23(6-2)13-22(29-17-9-7-15(3)8-10-17)14-28-20-18(21(22)25)11-16(4)12-19(20)24(26)27/h7-12H,5-6,13-14H2,1-4H3/t22-/m1/s1