(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid (6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-ethyl-2-oxochromen-4-yl)methyl (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid (6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C24H24ClNO5S MolecularWeight: 473.96906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)[C@H](CCSC)NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C24H24ClNO5S/c1-3-15-11-21-18(13-19(15)25)17(12-22(27)31-21)14-30-24(29)20(9-10-32-2)26-23(28)16-7-5-4-6-8-16/h4-8,11-13,20H,3,9-10,14H2,1-2H3,(H,26,28)/t20-/m0/s1