[3-(dipropylamino)-3,4-dihydro-2H-thiochromen-8-yl] benzoate

Systemtic Name: [3-(dipropylamino)-3,4-dihydro-2H-thiochromen-8-yl] benzoate Openeye Name: [3-(dipropylamino)thiochroman-8-yl] benzoate CAS Name: benzoic acid [3-(dipropylamino)-3,4-dihydro-2H-1-benzothiopyran-8-yl] ester IUPAC Name: [3-(dipropylamino)-3,4-dihydro-2H-thiochromen-8-yl] benzoate Traditional Name: benzoic acid [3-(dipropylamino)thiochroman-8-yl] ester Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1CC2=C(C(=CC=C2)OC(=O)C3=CC=CC=C3)SC1

Isomeric SMILES

CCCN(CCC)C1CC2=C(C(=CC=C2)OC(=O)C3=CC=CC=C3)SC1

InChI

InChI=1S/C22H27NO2S/c1-3-13-23(14-4-2)19-15-18-11-8-12-20(21(18)26-16-19)25-22(24)17-9-6-5-7-10-17/h5-12,19H,3-4,13-16H2,1-2H3