(2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-3-ol

Systemtic Name: (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-3-ol Openeye Name: (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-3-ol CAS Name: (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-3-ol IUPAC Name: (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-3-ol Traditional Name: (2S,3S)-5-(2-hydroxyethyl)-2-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepin-3-ol Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(CN(C3=CC=CC=C3S2)CCO)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H](CN(C3=CC=CC=C3S2)CCO)O

InChI

InChI=1S/C18H21NO3S/c1-22-14-8-6-13(7-9-14)18-16(21)12-19(10-11-20)15-4-2-3-5-17(15)23-18/h2-9,16,18,20-21H,10-12H2,1H3/t16-,18-/m0/s1