(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H23NO5S MolecularWeight: 425.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(CCSC)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO5S/c1-15-8-9-18-17(13-21(25)29-20(18)12-15)14-28-23(27)19(10-11-30-2)24-22(26)16-6-4-3-5-7-16/h3-9,12-13,19H,10-11,14H2,1-2H3,(H,24,26)