(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H23NO5S/c1-12(2)20(23-21(25)18-6-5-7-29-18)22(26)27-11-15-10-19(24)28-17-9-14(4)13(3)8-16(15)17/h5-10,12,20H,11H2,1-4H3,(H,23,25)/t20-/m0/s1