(4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridin-9-yl) benzoate

Systemtic Name: (4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridin-9-yl) benzoate Openeye Name: (4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridin-9-yl) benzoate CAS Name: benzoic acid (4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridin-9-yl) ester IUPAC Name: (4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridin-9-yl) benzoate Traditional Name: benzoic acid (4-propyl-2,3,4a,5-tetrahydrothiochromeno[3,4-b]pyridin-9-yl) ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC=C2C1CSC3=C2C=C(C=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN1CCC=C2C1CSC3=C2C=C(C=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO2S/c1-2-12-23-13-6-9-18-19-14-17(10-11-21(19)26-15-20(18)23)25-22(24)16-7-4-3-5-8-16/h3-5,7-11,14,20H,2,6,12-13,15H2,1H3