2-methylsulfanylethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate CAS Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyridine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C17H18BrNO5S MolecularWeight: 428.29752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCSC

Isomeric SMILES

CC1=C([C@H](CC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCSC

InChI

InChI=1S/C17H18BrNO5S/c1-9-16(17(21)22-3-4-25-2)11(6-15(20)19-9)10-5-13-14(7-12(10)18)24-8-23-13/h5,7,11H,3-4,6,8H2,1-2H3,(H,19,20)/t11-/m1/s1