(2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-6-methoxy-3-phenyl-1-benzothiophen-3-ol

Systemtic Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-6-methoxy-3-phenyl-1-benzothiophen-3-ol Openeye Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-6-methoxy-3-phenyl-benzothiophen-3-ol CAS Name: (2S,3R)-2-(1-benzotriazolyl)-2-ethyl-6-methoxy-3-phenyl-1-benzothiophen-3-ol IUPAC Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-6-methoxy-3-phenyl-1-benzothiophen-3-ol Traditional Name: (2S,3R)-2-(benzotriazol-1-yl)-2-ethyl-6-methoxy-3-phenyl-benzothiophen-3-ol Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C2=C(S1)C=C(C=C2)OC)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC[C@]1([C@](C2=C(S1)C=C(C=C2)OC)(C3=CC=CC=C3)O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H21N3O2S/c1-3-22(26-20-12-8-7-11-19(20)24-25-26)23(27,16-9-5-4-6-10-16)18-14-13-17(28-2)15-21(18)29-22/h4-15,27H,3H2,1-2H3/t22-,23+/m0/s1