N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Openeye Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(2-thienyl)isoxazole-3-carboxamide CAS Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-thiophen-2-yl-3-isoxazolecarboxamide IUPAC Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide Traditional Name: N-[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]-5-(2-thienyl)isoxazole-3-carboxamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H21N3O2S2/c1-21(2,3)12-6-7-13-14(11-22)20(28-18(13)9-12)23-19(25)15-10-16(26-24-15)17-5-4-8-27-17/h4-5,8,10,12H,6-7,9H2,1-3H3,(H,23,25)/t12-/m0/s1