4-bromanyl-5-[2-[(3S,6S)-3-methoxy-1-methoxycarbonyl-3,6-dihydro-2H-pyridin-6-yl]ethanoyl]thiophene-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-[2-[(3S,6S)-3-methoxy-1-methoxycarbonyl-3,6-dihydro-2H-pyridin-6-yl]ethanoyl]thiophene-2-carboxylic acid Openeye Name: 4-bromo-5-[2-[(3S,6S)-3-methoxy-1-methoxycarbonyl-3,6-dihydro-2H-pyridin-6-yl]acetyl]thiophene-2-carboxylic acid CAS Name: 4-bromo-5-[2-[(3S,6S)-3-methoxy-1-methoxycarbonyl-3,6-dihydro-2H-pyridin-6-yl]-1-oxoethyl]-2-thiophenecarboxylic acid IUPAC Name: 4-bromo-5-[2-[(3S,6S)-3-methoxy-1-methoxycarbonyl-3,6-dihydro-2H-pyridin-6-yl]acetyl]thiophene-2-carboxylic acid Traditional Name: 4-bromo-5-[2-[(3S,6S)-1-carbomethoxy-3-methoxy-3,6-dihydro-2H-pyridin-6-yl]acetyl]-2-thenoic acid Formula: C15H16BrNO6S MolecularWeight: 418.25964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO6S/c1-22-9-4-3-8(17(7-9)15(21)23-2)5-11(18)13-10(16)6-12(24-13)14(19)20/h3-4,6,8-9H,5,7H2,1-2H3,(H,19,20)/t8-,9+/m1/s1