3-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(1,3-benzoxazol-2-ylthio)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(1,3-benzoxazol-2-ylthio)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C23H25N3O2S2 MolecularWeight: 439.5935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CCSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C23H25N3O2S2/c1-23(2,3)14-8-9-15-16(13-24)21(30-19(15)12-14)26-20(27)10-11-29-22-25-17-6-4-5-7-18(17)28-22/h4-7,14H,8-12H2,1-3H3,(H,26,27)