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

Systemtic Name: N-(furan-2-ylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(2-furylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(2-furanylmethyl)-2-[(1-oxo-3-phenylprop-2-ynyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-2-(3-phenylprop-2-ynoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(2-furfuryl)-2-[(3-phenylpropioloyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H20N2O3S MolecularWeight: 404.4815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C#CC3=CC=CC=C3)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C#CC3=CC=CC=C3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H20N2O3S/c26-20(13-12-16-7-2-1-3-8-16)25-23-21(18-10-4-5-11-19(18)29-23)22(27)24-15-17-9-6-14-28-17/h1-3,6-9,14H,4-5,10-11,15H2,(H,24,27)(H,25,26)