(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: (7-hydroxy-8-methyl-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 (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)C(C(C)C)NC(=O)C3=CC=CS3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)[C@H](C(C)C)NC(=O)C3=CC=CS3)O

InChI

InChI=1S/C21H21NO6S/c1-11(2)18(22-20(25)16-5-4-8-29-16)21(26)27-10-13-9-17(24)28-19-12(3)15(23)7-6-14(13)19/h4-9,11,18,23H,10H2,1-3H3,(H,22,25)/t18-/m0/s1