methyl 3-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 3-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 3-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]benzoate CAS Name: 3-[3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 3-[3-(3,4-dihydro-2H-thiochromen-4-ylamino)-2-hydroxypropoxy]benzoate Traditional Name: 3-[2-hydroxy-3-(thiochroman-4-ylamino)propoxy]benzoic acid methyl ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)OCC(CNC2CCSC3=CC=CC=C23)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)OCC(CNC2CCSC3=CC=CC=C23)O

InChI

InChI=1S/C20H23NO4S/c1-24-20(23)14-5-4-6-16(11-14)25-13-15(22)12-21-18-9-10-26-19-8-3-2-7-17(18)19/h2-8,11,15,18,21-22H,9-10,12-13H2,1H3