methyl 4-[(2S)-3-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 4-[(2S)-3-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 4-[(2S)-3-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2S)-3-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-3-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2S)-3-[(1S)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-hydroxy-propoxy]benzoic acid methyl ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC(COC3=CC=C(C=C3)C(=O)OC)O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C[C@@H](COC3=CC=C(C=C3)C(=O)OC)O)C4=CC=CS4)OC

InChI

InChI=1S/C26H29NO6S/c1-30-22-13-18-10-11-27(25(24-5-4-12-34-24)21(18)14-23(22)31-2)15-19(28)16-33-20-8-6-17(7-9-20)26(29)32-3/h4-9,12-14,19,25,28H,10-11,15-16H2,1-3H3/t19-,25-/m0/s1