3,4-dihydro-2H-thiochromen-8-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate

Systemtic Name: 3,4-dihydro-2H-thiochromen-8-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate Openeye Name: thiochroman-8-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate CAS Name: 3-[4-(2-methoxyphenyl)-1-piperazinyl]propanoic acid 3,4-dihydro-2H-1-benzothiopyran-8-yl ester IUPAC Name: 3,4-dihydro-2H-thiochromen-8-yl 3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate Traditional Name: 3-[4-(2-methoxyphenyl)piperazino]propionic acid thiochroman-8-yl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)OC3=CC=CC4=C3SCCC4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)OC3=CC=CC4=C3SCCC4

InChI

InChI=1S/C23H28N2O3S/c1-27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)12-11-22(26)28-21-10-4-6-18-7-5-17-29-23(18)21/h2-4,6,8-10H,5,7,11-17H2,1H3