methyl (2R)-4-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[(6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C19H24NO5S+ MolecularWeight: 378.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCSC(C3)C(=O)OC)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)C[NH+]3CCS[C@H](C3)C(=O)OC)O

InChI

InChI=1S/C19H23NO5S/c1-4-12-8-13-11(2)7-16(21)25-18(13)14(17(12)22)9-20-5-6-26-15(10-20)19(23)24-3/h7-8,15,22H,4-6,9-10H2,1-3H3/p+1/t15-/m1/s1