(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)SC)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=C(N=CC=C3)SC)C(C)C

InChI

InChI=1S/C21H21NO4S/c1-12(2)16-10-17-14(9-19(23)26-18(17)8-13(16)3)11-25-21(24)15-6-5-7-22-20(15)27-4/h5-10,12H,11H2,1-4H3