[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl] 3-aminocarbonylpyridine-4-carboxylate

Systemtic Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl] 3-aminocarbonylpyridine-4-carboxylate Openeye Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl] 3-carbamoylpyridine-4-carboxylate CAS Name: 3-carbamoyl-4-pyridinecarboxylic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl] ester IUPAC Name: [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylethyl] 3-carbamoylpyridine-4-carboxylate Traditional Name: 3-carbamoylisonicotinic acid [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenyl-ethyl] ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1SC=C2)C(COC(=O)C3=C(C=NC=C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1SC=C2)C(COC(=O)C3=C(C=NC=C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c23-21(26)18-12-24-9-6-17(18)22(27)28-14-19(15-4-2-1-3-5-15)25-10-7-20-16(13-25)8-11-29-20/h1-6,8-9,11-12,19H,7,10,13-14H2,(H2,23,26)