6-tert-butyl-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-(2-furylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-(2-furanylmethyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-(furan-2-ylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-(2-furfuryl)-2-[(3-phenylpropioloyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O3S/c1-27(2,3)19-12-13-21-22(16-19)33-26(24(21)25(31)28-17-20-10-7-15-32-20)29-23(30)14-11-18-8-5-4-6-9-18/h4-10,15,19H,12-13,16-17H2,1-3H3,(H,28,31)(H,29,30)