(6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) (2R)-2-acetamido-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-phenyl-chromen-7-yl) (2R)-2-acetamido-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-2-oxo-4-phenyl-chromen-7-yl) (2R)-2-acetamido-4-methylsulfanyl-butanoate CAS Name: (2R)-2-acetamido-4-(methylthio)butanoic acid (6-chloro-2-oxo-4-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-phenylchromen-7-yl) (2R)-2-acetamido-4-methylsulfanylbutanoate Traditional Name: (2R)-2-acetamido-4-(methylthio)butyric acid (6-chloro-2-keto-4-phenyl-chromen-7-yl) ester Formula: C22H20ClNO5S MolecularWeight: 445.9159

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

Isomeric SMILES

CC(=O)N[C@H](CCSC)C(=O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H20ClNO5S/c1-13(25)24-18(8-9-30-2)22(27)29-20-12-19-16(10-17(20)23)15(11-21(26)28-19)14-6-4-3-5-7-14/h3-7,10-12,18H,8-9H2,1-2H3,(H,24,25)/t18-/m1/s1