ethyl 3-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 3-methyl-4-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-2-carboxylate CAS Name: 3-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-methyl-4-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2C3=C(CCCC3)SC2=N1)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2C3=C(CCCC3)SC2=N1)C4=CC=CC=C4)C

InChI

InChI=1S/C21H21NO2S/c1-3-24-21(23)19-13(2)17(14-9-5-4-6-10-14)18-15-11-7-8-12-16(15)25-20(18)22-19/h4-6,9-10H,3,7-8,11-12H2,1-2H3