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

Systemtic Name: methyl (3S,6S)-6-[2-(3-bromanyl-5-methoxycarbonyl-thiophen-2-yl)-2-oxidanylidene-ethyl]-3-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: methyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-2-thienyl)-2-oxo-ethyl]-3-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: (3S,6S)-6-[2-(3-bromo-5-methoxycarbonyl-2-thiophenyl)-2-oxoethyl]-3-methoxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester IUPAC Name: methyl (3S,6S)-6-[2-(3-bromo-5-methoxycarbonylthiophen-2-yl)-2-oxoethyl]-3-methoxy-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: (3S,6S)-6-[2-(3-bromo-5-carbomethoxy-2-thienyl)-2-keto-ethyl]-3-methoxy-3,6-dihydro-2H-pyridine-1-carboxylic acid methyl ester Formula: C16H18BrNO6S MolecularWeight: 432.28622

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(C(C=C1)CC(=O)C2=C(C=C(S2)C(=O)OC)Br)C(=O)OC

Isomeric SMILES

CO[C@@H]1CN([C@H](C=C1)CC(=O)C2=C(C=C(S2)C(=O)OC)Br)C(=O)OC

InChI

InChI=1S/C16H18BrNO6S/c1-22-10-5-4-9(18(8-10)16(21)24-3)6-12(19)14-11(17)7-13(25-14)15(20)23-2/h4-5,7,9-10H,6,8H2,1-3H3/t9-,10+/m1/s1