[6-[[(3-bromophenyl)-(thiophen-2-ylmethoxy)methyl]-ethyl-amino]pyridin-3-yl] hydrogen carbonate

Systemtic Name: [6-[[(3-bromophenyl)-(thiophen-2-ylmethoxy)methyl]-ethyl-amino]pyridin-3-yl] hydrogen carbonate Openeye Name: [6-[[(3-bromophenyl)-(2-thienylmethoxy)methyl]-ethyl-amino]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [6-[[(3-bromophenyl)-(thiophen-2-ylmethoxy)methyl]-ethylamino]-3-pyridinyl] ester IUPAC Name: [6-[[(3-bromophenyl)-(thiophen-2-ylmethoxy)methyl]-ethylamino]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[[(3-bromophenyl)-(2-thenyloxy)methyl]-ethyl-amino]-3-pyridyl] ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC=C(C=C1)OC(=O)O)C(C2=CC(=CC=C2)Br)OCC3=CC=CS3

Isomeric SMILES

CCN(C1=NC=C(C=C1)OC(=O)O)C(C2=CC(=CC=C2)Br)OCC3=CC=CS3

InChI

InChI=1S/C20H19BrN2O4S/c1-2-23(18-9-8-16(12-22-18)27-20(24)25)19(14-5-3-6-15(21)11-14)26-13-17-7-4-10-28-17/h3-12,19H,2,13H2,1H3,(H,24,25)