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

Systemtic Name: prop-2-enyl 2-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate Openeye Name: allyl 2-methyl-4-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-3-carboxylate CAS Name: 2-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-methyl-4-phenyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylate Traditional Name: 2-methyl-4-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridine-3-carboxylic acid allyl ester Formula: C22H21NO2S MolecularWeight: 363.47264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C3=C(CCCC3)SC2=N1)C4=CC=CC=C4)C(=O)OCC=C

Isomeric SMILES

CC1=C(C(=C2C3=C(CCCC3)SC2=N1)C4=CC=CC=C4)C(=O)OCC=C

InChI

InChI=1S/C22H21NO2S/c1-3-13-25-22(24)18-14(2)23-21-20(16-11-7-8-12-17(16)26-21)19(18)15-9-5-4-6-10-15/h3-6,9-10H,1,7-8,11-13H2,2H3