5-[(2-bromophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one; ethanedioic acid

Systemtic Name: 5-[(2-bromophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one; ethanedioic acid Openeye Name: 5-[(2-bromophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one; oxalic acid CAS Name: 5-[(2-bromophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one; oxalic acid IUPAC Name: 5-[(2-bromophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one; oxalic acid Traditional Name: 5-(2-bromobenzyl)-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one; oxalic acid Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC2=CC(=O)SC21)CC3=CC=CC=C3Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H14BrNOS.C2H2O4/c15-12-4-2-1-3-10(12)8-16-6-5-13-11(9-16)7-14(17)18-13;3-1(4)2(5)6/h1-4,7,13H,5-6,8-9H2;(H,3,4)(H,5,6)