(3S)-6-bromanyl-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one

Systemtic Name: (3S)-6-bromanyl-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one Openeye Name: (3S)-6-bromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholinomethyl)chroman-4-one CAS Name: (3S)-6-bromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(4-morpholinylmethyl)-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3S)-6-bromo-3-(4-chlorophenyl)sulfanyl-7-methyl-3-(morpholin-4-ylmethyl)-2H-chromen-4-one Traditional Name: (3S)-6-bromo-3-[(4-chlorophenyl)thio]-7-methyl-3-(morpholinomethyl)chroman-4-one Formula: C21H21BrClNO3S MolecularWeight: 482.81834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OCC(C2=O)(CN3CCOCC3)SC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

CC1=C(C=C2C(=C1)OC[C@](C2=O)(CN3CCOCC3)SC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C21H21BrClNO3S/c1-14-10-19-17(11-18(14)22)20(25)21(13-27-19,12-24-6-8-26-9-7-24)28-16-4-2-15(23)3-5-16/h2-5,10-11H,6-9,12-13H2,1H3/t21-/m0/s1