N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Openeye Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide CAS Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-9H-xanthene-9-carboxamide Traditional Name: N-[(6R)-3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]-9H-xanthene-9-carboxamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H22N2O2S/c1-2-15-11-12-16-19(14-26)25(30-22(16)13-15)27-24(28)23-17-7-3-5-9-20(17)29-21-10-6-4-8-18(21)23/h3-10,15,23H,2,11-13H2,1H3,(H,27,28)/t15-/m1/s1