3-[4-[(2-azanyl-3-methoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]phenyl]propanoate

Systemtic Name: 3-[4-[(2-azanyl-3-methoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]phenyl]propanoate Openeye Name: 3-[4-[(2-amino-3-methoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]phenyl]propanoate CAS Name: 3-[4-[(2-amino-3-methoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]phenyl]propanoate IUPAC Name: 3-[4-[(2-amino-3-methoxycarbonyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]phenyl]propanoate Traditional Name: 3-[4-[(2-amino-3-carbomethoxy-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)sulfonyl]phenyl]propionate Formula: C18H19N2O6S2- MolecularWeight: 423.48326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCN(C2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-])N

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCN(C2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-])N

InChI

InChI=1S/C18H20N2O6S2/c1-26-18(23)16-13-8-9-20(10-14(13)27-17(16)19)28(24,25)12-5-2-11(3-6-12)4-7-15(21)22/h2-3,5-6H,4,7-10,19H2,1H3,(H,21,22)/p-1