6-chloranyl-N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[6-ethyl-3-(2-furylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[6-ethyl-3-[(2-furanylmethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[6-ethyl-3-(furan-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[6-ethyl-3-(2-furfurylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-2-13-5-7-16-17(10-13)30-22(26-20(27)14-6-8-18(23)24-11-14)19(16)21(28)25-12-15-4-3-9-29-15/h3-4,6,8-9,11,13H,2,5,7,10,12H2,1H3,(H,25,28)(H,26,27)