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

Systemtic Name: 6-chloranyl-N-[3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[3-(2-furylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[3-[(2-furanylmethylamino)-oxomethyl]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[3-(2-furfurylcarbamoyl)-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl]nicotinamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CO3)NC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-12-4-6-15-16(9-12)29-21(25-19(26)13-5-7-17(22)23-10-13)18(15)20(27)24-11-14-3-2-8-28-14/h2-3,5,7-8,10,12H,4,6,9,11H2,1H3,(H,24,27)(H,25,26)