methyl (3S,6S)-3-acetyloxy-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: methyl (3S,6S)-3-acetyloxy-6-[2-(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: methyl (3S,6S)-3-acetoxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxo-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: (3S,6S)-3-acetyloxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-3-acetyloxy-6-[2-(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)-2-oxoethyl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: (3S,6S)-3-acetoxy-6-[2-(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)-2-keto-ethyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester Formula: C17H19BrN2O7 MolecularWeight: 443.24596

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CN(C(C=C1)CC(=O)C2=C(C=C(N2)C(=O)OC)Br)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1CN([C@H](C=C1)CC(=O)C2=C(C=C(N2)C(=O)OC)Br)C(=O)OC

InChI

InChI=1S/C17H19BrN2O7/c1-9(21)27-11-5-4-10(20(8-11)17(24)26-3)6-14(22)15-12(18)7-13(19-15)16(23)25-2/h4-5,7,10-11,19H,6,8H2,1-3H3/t10-,11+/m1/s1