methyl 5-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]thiophene-3-carboxylate

Systemtic Name: methyl 5-[2-[[(2-oxidanyl-3-phenoxy-propyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]thiophene-3-carboxylate Openeye Name: methyl 5-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]thiophene-3-carboxylate CAS Name: 5-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-1-benzopyran-6-yl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]thiophene-3-carboxylate Traditional Name: 5-[2-[[(2-hydroxy-3-phenoxy-propyl)amino]methyl]chroman-6-yl]thiophene-3-carboxylic acid methyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CSC(=C1)C2=CC3=C(C=C2)OC(CC3)CNCC(COC4=CC=CC=C4)O

InChI

InChI=1S/C25H27NO5S/c1-29-25(28)19-12-24(32-16-19)18-8-10-23-17(11-18)7-9-22(31-23)14-26-13-20(27)15-30-21-5-3-2-4-6-21/h2-6,8,10-12,16,20,22,26-27H,7,9,13-15H2,1H3