2-[2-(5-ethyl-1-benzofuran-3-yl)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(5-ethyl-1-benzofuran-3-yl)ethanoylamino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(5-ethylbenzofuran-3-yl)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(5-ethyl-3-benzofuranyl)-1-oxoethyl]amino]-N-(3-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(5-ethyl-1-benzofuran-3-yl)acetyl]amino]-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(5-ethylbenzofuran-3-yl)acetyl]amino]-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)OC=C2CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C27H27N3O3S/c1-2-17-9-10-22-21(12-17)19(16-33-22)13-24(31)30-27-25(20-7-3-4-8-23(20)34-27)26(32)29-15-18-6-5-11-28-14-18/h5-6,9-12,14,16H,2-4,7-8,13,15H2,1H3,(H,29,32)(H,30,31)