N-[1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-(2,3-dihydrobenzofuran-2-ylmethylcarbamoyl)-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-(2,3-dihydrobenzofuran-2-ylmethylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-(coumaran-2-ylmethylcarbamoyl)-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2CC3=CC=CC=C3O2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2CC3=CC=CC=C3O2

InChI

InChI=1S/C22H26N2O4S/c1-27-20-10-6-4-8-17(20)21(25)24-18(11-12-29-2)22(26)23-14-16-13-15-7-3-5-9-19(15)28-16/h3-10,16,18H,11-14H2,1-2H3,(H,23,26)(H,24,25)